24832070 -OEChem-05102404112D 156153 0 0 0 0 0 0 0999 V2000 21.8804 3.6200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 15.6800 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3239 19.2400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.7464 5.1200 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.5482 17.1800 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 20.1899 20.7400 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 21.8804 4.6200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 22.8804 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8804 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 16.6800 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.3239 20.2400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.6822 15.6800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6822 15.6800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3239 19.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3239 19.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8182 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6843 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9522 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2181 8.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8598 12.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5503 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2181 9.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8598 13.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 8.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9937 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0841 10.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7258 13.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0862 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4163 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 7.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9937 10.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0841 11.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7258 14.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2202 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 6.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1277 10.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2823 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 11.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5918 15.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3541 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1277 9.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1484 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 12.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5918 16.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4881 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 5.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2617 8.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0144 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8162 13.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4578 16.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8804 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6221 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 4.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2617 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0144 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8162 14.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4578 17.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 12.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3239 16.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7464 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 14.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3239 18.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8804 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7464 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5482 13.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1899 16.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5482 14.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1899 17.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4197 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2168 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0828 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2857 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3507 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5537 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4301 8.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 8.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0718 11.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4703 12.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1518 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9488 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 10.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 9.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6477 13.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2492 13.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 8.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7415 8.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7817 12.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3832 11.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2962 9.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6947 10.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9378 13.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3364 13.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6876 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4847 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8148 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0178 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5641 6.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9626 7.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2058 10.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6043 10.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 11.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 11.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5137 15.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1152 14.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6187 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8216 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 7.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8754 6.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9157 10.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5171 10.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8838 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6809 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1622 11.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5607 11.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8039 14.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2024 15.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9556 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7527 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 5.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0966 5.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3398 8.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7383 9.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5469 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7498 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7381 13.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 12.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3798 16.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9812 16.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8866 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0896 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4079 5.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0094 5.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0496 9.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6511 8.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3121 2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9321 1.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6417 7.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2617 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8817 7.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4774 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 14.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9209 18.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 12.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3239 15.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2834 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8804 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2834 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0851 12.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7268 16.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0851 14.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7268 18.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 52 1 0 0 0 0 2 10 1 0 0 0 0 2 12 2 0 0 0 0 2 13 2 0 0 0 0 2 62 1 0 0 0 0 3 11 1 0 0 0 0 3 14 2 0 0 0 0 3 15 2 0 0 0 0 3 63 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 70 1 0 0 0 0 16 71 1 0 0 0 0 17 21 1 0 0 0 0 17 72 1 0 0 0 0 17 73 1 0 0 0 0 18 28 1 0 0 0 0 18 74 1 0 0 0 0 18 75 1 0 0 0 0 19 22 1 0 0 0 0 19 24 1 0 0 0 0 19 76 1 0 0 0 0 19 77 1 0 0 0 0 20 23 1 0 0 0 0 20 25 1 0 0 0 0 20 78 1 0 0 0 0 20 79 1 0 0 0 0 21 29 1 0 0 0 0 21 80 1 0 0 0 0 21 81 1 0 0 0 0 22 26 1 0 0 0 0 22 82 1 0 0 0 0 22 83 1 0 0 0 0 23 27 1 0 0 0 0 23 84 1 0 0 0 0 23 85 1 0 0 0 0 24 30 1 0 0 0 0 24 86 1 0 0 0 0 24 87 1 0 0 0 0 25 31 1 0 0 0 0 25 88 1 0 0 0 0 25 89 1 0 0 0 0 26 32 1 0 0 0 0 26 90 1 0 0 0 0 26 91 1 0 0 0 0 27 33 1 0 0 0 0 27 92 1 0 0 0 0 27 93 1 0 0 0 0 28 34 1 0 0 0 0 28 94 1 0 0 0 0 28 95 1 0 0 0 0 29 37 1 0 0 0 0 29 96 1 0 0 0 0 29 97 1 0 0 0 0 30 35 1 0 0 0 0 30 98 1 0 0 0 0 30 99 1 0 0 0 0 31 36 1 0 0 0 0 31100 1 0 0 0 0 31101 1 0 0 0 0 32 38 1 0 0 0 0 32102 1 0 0 0 0 32103 1 0 0 0 0 33 39 1 0 0 0 0 33104 1 0 0 0 0 33105 1 0 0 0 0 34 40 1 0 0 0 0 34106 1 0 0 0 0 34107 1 0 0 0 0 35 41 1 0 0 0 0 35108 1 0 0 0 0 35109 1 0 0 0 0 36 42 1 0 0 0 0 36110 1 0 0 0 0 36111 1 0 0 0 0 37 43 1 0 0 0 0 37112 1 0 0 0 0 37113 1 0 0 0 0 38 44 1 0 0 0 0 38114 1 0 0 0 0 38115 1 0 0 0 0 39 45 1 0 0 0 0 39116 1 0 0 0 0 39117 1 0 0 0 0 40 46 1 0 0 0 0 40118 1 0 0 0 0 40119 1 0 0 0 0 41 47 1 0 0 0 0 41120 1 0 0 0 0 41121 1 0 0 0 0 42 48 1 0 0 0 0 42122 1 0 0 0 0 42123 1 0 0 0 0 43 49 1 0 0 0 0 43124 1 0 0 0 0 43125 1 0 0 0 0 44 50 1 0 0 0 0 44126 1 0 0 0 0 44127 1 0 0 0 0 45 51 1 0 0 0 0 45128 1 0 0 0 0 45129 1 0 0 0 0 46 53 1 0 0 0 0 46130 1 0 0 0 0 46131 1 0 0 0 0 47 54 1 0 0 0 0 47132 1 0 0 0 0 47133 1 0 0 0 0 48 55 1 0 0 0 0 48134 1 0 0 0 0 48135 1 0 0 0 0 49 52 1 0 0 0 0 49 56 2 0 0 0 0 50 57 2 0 0 0 0 50 59 1 0 0 0 0 51 58 2 0 0 0 0 51 60 1 0 0 0 0 52 61 2 0 0 0 0 53136 1 0 0 0 0 53137 1 0 0 0 0 53138 1 0 0 0 0 54139 1 0 0 0 0 54140 1 0 0 0 0 54141 1 0 0 0 0 55142 1 0 0 0 0 55143 1 0 0 0 0 55144 1 0 0 0 0 56 64 1 0 0 0 0 56145 1 0 0 0 0 57 62 1 0 0 0 0 57146 1 0 0 0 0 58 63 1 0 0 0 0 58147 1 0 0 0 0 59 66 2 0 0 0 0 59148 1 0 0 0 0 60 67 2 0 0 0 0 60149 1 0 0 0 0 61 65 1 0 0 0 0 61150 1 0 0 0 0 62 68 2 0 0 0 0 63 69 2 0 0 0 0 64 65 2 0 0 0 0 64151 1 0 0 0 0 65152 1 0 0 0 0 66 68 1 0 0 0 0 66153 1 0 0 0 0 67 69 1 0 0 0 0 67154 1 0 0 0 0 68155 1 0 0 0 0 69156 1 0 0 0 0 M CHG 6 4 1 5 1 6 1 7 -1 10 -1 11 -1 M END > 24832070 > 1 > 691 > 9 > 0 > 33 > AAADcfB8PDBgAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAGAQAAAAADACAWAAyAYAAAAKAAiBCAHBCAEAgAAAIiBgAAIgIICKAERCAIAAggAAIiAcAgMAOAAAAgAAEAAAAAAEAAAgAAAAAAAAAAA== > trisodium;2-dodecylbenzenesulfonate;3-dodecylbenzenesulfonate > trisodium;2-dodecylbenzenesulfonate;3-dodecylbenzenesulfonate > trisodium;2-dodecylbenzenesulfonate;3-dodecylbenzenesulfonate > trisodium;2-dodecylbenzenesulfonate;3-dodecylbenzenesulfonate > trisodium;2-dodecylbenzenesulfonate;3-dodecylbenzenesulfonate > trisodium;2-laurylbesylate;3-laurylbesylate > InChI=1S/3C18H30O3S.3Na/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;2*1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21;;;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);2*12,14-16H,2-11,13H2,1H3,(H,19,20,21);;;/q;;;3*+1/p-3 > SDJITHLNLMDAFZ-UHFFFAOYSA-K > 1044.52053071 > C54H87Na3O9S3 > 1045.4 > CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+] > CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+] > 197 > 1044.52053071 > 0 > 69 > 0 > 0 > 0 > 0 > 0 > 6 > -1 > 1 5 255 > 49 52 8 49 56 8 50 57 8 50 59 8 51 58 8 51 60 8 52 61 8 56 64 8 57 62 8 58 63 8 59 66 8 60 67 8 61 65 8 62 68 8 63 69 8 64 65 8 66 68 8 67 69 8 $$$$