60059674 -OEChem-05072412282D 137141 0 0 0 0 0 0 0999 V2000 7.7619 3.9494 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.2786 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.2506 4.9185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8568 5.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 3.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 4.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5938 6.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 5.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9184 4.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 4.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 4.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1863 6.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9439 5.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8970 4.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 3.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5938 7.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3258 6.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5648 3.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 3.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5433 3.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 2.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 3.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 7.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3258 7.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 2.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 -2.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2111 3.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 -2.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1897 3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 -3.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8575 2.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2496 -4.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8360 2.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5602 -5.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5038 2.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8924 -6.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4824 2.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 -7.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1502 1.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -7.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1287 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 0.8402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 1.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3921 3.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1497 3.5989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9609 5.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 5.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7809 4.6491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8519 3.9723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9905 4.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1248 4.9767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6464 6.8808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7707 6.9252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7263 6.0495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6908 5.8808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3780 5.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1971 4.7489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 1.0717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 0.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4233 4.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6657 4.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 3.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 3.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0568 7.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8628 6.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 -0.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 -0.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0384 3.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7961 3.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 1.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 4.4863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 -0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0697 4.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3120 4.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.8934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 8.5103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8628 7.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6793 1.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3695 0.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2368 1.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2368 2.6159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 0.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8445 1.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6571 -2.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8215 -1.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6848 2.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4424 2.5228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2242 -2.3179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0598 -3.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7160 3.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9584 3.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2999 -4.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4643 -3.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3311 2.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0888 1.9847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -4.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 -4.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3624 3.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6047 3.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9428 -5.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1071 -5.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9775 1.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7351 1.4466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5098 -5.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 -6.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0087 2.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2511 2.8033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5856 -7.6339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -6.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6238 1.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3815 0.9085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0737 -7.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1211 -8.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9966 -8.3044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2566 1.0833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7354 1.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0008 2.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 6 2 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 20 1 0 0 0 0 7 21 2 0 0 0 0 8 10 1 0 0 0 0 8 22 2 0 0 0 0 9 11 1 0 0 0 0 9 23 2 0 0 0 0 10 24 2 0 0 0 0 11 25 2 0 0 0 0 12 18 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 19 1 0 0 0 0 13 60 1 0 0 0 0 13 61 1 0 0 0 0 14 62 1 0 0 0 0 14 63 1 0 0 0 0 14 64 1 0 0 0 0 15 65 1 0 0 0 0 15 66 1 0 0 0 0 15 67 1 0 0 0 0 16 68 1 0 0 0 0 16 69 1 0 0 0 0 16 70 1 0 0 0 0 17 71 1 0 0 0 0 17 72 1 0 0 0 0 17 73 1 0 0 0 0 18 26 1 0 0 0 0 18 74 1 0 0 0 0 18 75 1 0 0 0 0 19 27 1 0 0 0 0 19 76 1 0 0 0 0 19 77 1 0 0 0 0 20 28 2 0 0 0 0 20 78 1 0 0 0 0 21 29 1 0 0 0 0 21 79 1 0 0 0 0 22 34 1 0 0 0 0 22 80 1 0 0 0 0 23 35 1 0 0 0 0 23 81 1 0 0 0 0 24 36 1 0 0 0 0 24 82 1 0 0 0 0 25 37 1 0 0 0 0 25 83 1 0 0 0 0 26 30 1 0 0 0 0 26 84 1 0 0 0 0 26 85 1 0 0 0 0 27 31 1 0 0 0 0 27 86 1 0 0 0 0 27 87 1 0 0 0 0 28 32 1 0 0 0 0 28 88 1 0 0 0 0 29 33 2 0 0 0 0 29 89 1 0 0 0 0 30 42 1 0 0 0 0 30 90 1 0 0 0 0 30 91 1 0 0 0 0 31 43 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 32 38 1 0 0 0 0 32 41 2 0 0 0 0 33 39 1 0 0 0 0 33 41 1 0 0 0 0 34 36 2 0 0 0 0 34 94 1 0 0 0 0 35 37 2 0 0 0 0 35 95 1 0 0 0 0 36 96 1 0 0 0 0 37 97 1 0 0 0 0 38 40 1 0 0 0 0 38 98 1 0 0 0 0 38 99 1 0 0 0 0 39 40 1 0 0 0 0 39100 1 0 0 0 0 39101 1 0 0 0 0 40102 1 0 0 0 0 40103 1 0 0 0 0 42 44 1 0 0 0 0 42104 1 0 0 0 0 42105 1 0 0 0 0 43 45 1 0 0 0 0 43106 1 0 0 0 0 43107 1 0 0 0 0 44 46 1 0 0 0 0 44108 1 0 0 0 0 44109 1 0 0 0 0 45 47 1 0 0 0 0 45110 1 0 0 0 0 45111 1 0 0 0 0 46 48 1 0 0 0 0 46112 1 0 0 0 0 46113 1 0 0 0 0 47 49 1 0 0 0 0 47114 1 0 0 0 0 47115 1 0 0 0 0 48 50 1 0 0 0 0 48116 1 0 0 0 0 48117 1 0 0 0 0 49 51 1 0 0 0 0 49118 1 0 0 0 0 49119 1 0 0 0 0 50 52 1 0 0 0 0 50120 1 0 0 0 0 50121 1 0 0 0 0 51 53 1 0 0 0 0 51122 1 0 0 0 0 51123 1 0 0 0 0 52 54 1 0 0 0 0 52124 1 0 0 0 0 52125 1 0 0 0 0 53 55 1 0 0 0 0 53126 1 0 0 0 0 53127 1 0 0 0 0 54 56 1 0 0 0 0 54128 1 0 0 0 0 54129 1 0 0 0 0 55 57 1 0 0 0 0 55130 1 0 0 0 0 55131 1 0 0 0 0 56132 1 0 0 0 0 56133 1 0 0 0 0 56134 1 0 0 0 0 57135 1 0 0 0 0 57136 1 0 0 0 0 57137 1 0 0 0 0 M CHG 1 2 1 M END > 60059674 > 1 > 1260 > 1 > 0 > 25 > AAADcfB/AAAEAAAAAAAAAAAAAAAAAWIAAAAwYIAAAAAAAFgBQAAAHAIAAAAADgrBGAQywIMAAACgAyRiRACCAAAhAgAIiAA4ZpgIICLBkZGEIAhggADIyAcQgMAPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1-dodecyl-3,3-dimethyl-indolin-2-ylidene)ethylidene]cyclohexen-1-yl]vinyl]-1-dodecyl-3,3-dimethyl-indol-1-ium > (2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1-dodecyl-3,3-dimethyl-2-indol-1-iumyl)ethenyl]-1-cyclohex-2-enylidene]ethylidene]-1-dodecyl-3,3-dimethylindole > (2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1-dodecyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-dodecyl-3,3-dimethylindole > (2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1-dodecyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-dodecyl-3,3-dimethylindole > (2E)-2-[(2E)-2-[2-chloranyl-3-[(E)-2-(1-dodecyl-3,3-dimethyl-indol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-dodecyl-3,3-dimethyl-indole > 2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1-lauryl-3,3-dimethyl-indolin-2-ylidene)ethylidene]cyclohexen-1-yl]vinyl]-1-lauryl-3,3-dimethyl-indol-1-ium > InChI=1S/C54H80ClN2/c1-7-9-11-13-15-17-19-21-23-29-42-56-48-36-27-25-34-46(48)53(3,4)50(56)40-38-44-32-31-33-45(52(44)55)39-41-51-54(5,6)47-35-26-28-37-49(47)57(51)43-30-24-22-20-18-16-14-12-10-8-2/h25-28,34-41H,7-24,29-33,42-43H2,1-6H3/q+1 > ATMSZPQUERYIRU-UHFFFAOYSA-N > 18.5 > 791.6010033 > C54H80ClN2+ > 792.7 > CCCCCCCCCCCCN1C2=CC=CC=C2C(C1=CC=C3CCCC(=C3Cl)C=CC4=[N+](C5=CC=CC=C5C4(C)C)CCCCCCCCCCCC)(C)C > CCCCCCCCCCCCN\1C2=CC=CC=C2C(/C1=C\C=C\3/CCCC(=C3Cl)/C=C/C4=[N+](C5=CC=CC=C5C4(C)C)CCCCCCCCCCCC)(C)C > 6.2 > 791.6010033 > 1 > 57 > 0 > 0 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 10 24 8 11 25 8 22 34 8 23 35 8 24 36 8 25 37 8 34 36 8 35 37 8 8 10 8 8 22 8 9 11 8 9 23 8 $$$$