60123284 -OEChem-05082400462D 136141 0 0 0 0 0 0 0999 V2000 7.0177 -2.2068 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5177 2.2068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 0.4943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4116 -1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9116 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 2.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4228 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9228 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9228 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6207 -2.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1208 2.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7547 -2.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2547 2.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4228 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9228 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4228 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9228 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3893 -1.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5144 -0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8893 1.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0144 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0319 3.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1492 2.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0392 -2.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5392 2.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7285 -3.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2285 3.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -1.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4868 -2.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9868 2.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7547 -3.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2547 3.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3964 -4.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8964 4.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 -2.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4868 -3.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9868 3.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6207 -4.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1208 4.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0857 -5.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5857 5.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 -2.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7536 -5.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2536 5.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -2.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4429 -6.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9429 6.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -3.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1108 -7.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6108 7.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3028 -0.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7328 -0.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2328 1.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5193 -1.7987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9956 -1.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2594 -0.5863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1311 -0.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5781 0.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8976 -0.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7594 0.5863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4956 1.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0193 1.7987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3976 0.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0781 -0.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6311 0.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6218 3.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8413 3.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4419 2.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5128 2.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 3.0537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7857 3.1924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0186 -1.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4254 -2.3257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9254 2.3257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5186 1.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0324 -0.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -0.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1816 -3.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 -3.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 3.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6816 3.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 -0.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4351 -1.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0237 -2.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5237 2.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 2.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2178 -4.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7178 4.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -0.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9433 -4.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7789 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2789 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4433 4.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6752 -2.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8396 -1.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0237 -4.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5237 4.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 2.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6207 -4.9939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1208 4.9939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 0.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5388 -4.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7032 -5.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2032 5.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0388 4.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 -3.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1512 -3.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3005 -6.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1361 -5.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6361 5.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8005 6.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8776 -2.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -2.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8960 -6.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0604 -7.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 7.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3960 6.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 -4.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 -3.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6493 -7.9116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5248 -7.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5722 -7.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0722 7.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0248 7.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1493 7.9116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -2.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -3.0994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 -3.8339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 13 1 0 0 0 0 1 26 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 2 27 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 28 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 17 1 0 0 0 0 8 18 2 3 0 0 0 9 19 2 0 0 0 0 10 13 1 0 0 0 0 10 32 2 0 0 0 0 11 14 1 0 0 0 0 11 33 2 0 0 0 0 12 15 1 0 0 0 0 12 34 2 0 0 0 0 13 35 2 0 0 0 0 14 36 2 0 0 0 0 15 37 2 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 59 1 0 0 0 0 18 60 1 0 0 0 0 19 61 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 21 67 1 0 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 24 74 1 0 0 0 0 24 75 1 0 0 0 0 24 76 1 0 0 0 0 25 77 1 0 0 0 0 25 78 1 0 0 0 0 25 79 1 0 0 0 0 26 29 1 0 0 0 0 26 80 1 0 0 0 0 26 81 1 0 0 0 0 27 30 1 0 0 0 0 27 82 1 0 0 0 0 27 83 1 0 0 0 0 28 31 1 0 0 0 0 28 84 1 0 0 0 0 28 85 1 0 0 0 0 29 38 1 0 0 0 0 29 86 1 0 0 0 0 29 87 1 0 0 0 0 30 39 1 0 0 0 0 30 88 1 0 0 0 0 30 89 1 0 0 0 0 31 40 1 0 0 0 0 31 90 1 0 0 0 0 31 91 1 0 0 0 0 32 41 1 0 0 0 0 32 92 1 0 0 0 0 33 42 1 0 0 0 0 33 93 1 0 0 0 0 34 43 1 0 0 0 0 34 94 1 0 0 0 0 35 44 1 0 0 0 0 35 95 1 0 0 0 0 36 45 1 0 0 0 0 36 96 1 0 0 0 0 37 46 1 0 0 0 0 37 97 1 0 0 0 0 38 47 1 0 0 0 0 38 98 1 0 0 0 0 38 99 1 0 0 0 0 39 48 1 0 0 0 0 39100 1 0 0 0 0 39101 1 0 0 0 0 40 49 1 0 0 0 0 40102 1 0 0 0 0 40103 1 0 0 0 0 41 44 2 0 0 0 0 41104 1 0 0 0 0 42 45 2 0 0 0 0 42105 1 0 0 0 0 43 46 2 0 0 0 0 43106 1 0 0 0 0 44107 1 0 0 0 0 45108 1 0 0 0 0 46109 1 0 0 0 0 47 50 1 0 0 0 0 47110 1 0 0 0 0 47111 1 0 0 0 0 48 51 1 0 0 0 0 48112 1 0 0 0 0 48113 1 0 0 0 0 49 52 1 0 0 0 0 49114 1 0 0 0 0 49115 1 0 0 0 0 50 53 1 0 0 0 0 50116 1 0 0 0 0 50117 1 0 0 0 0 51 54 1 0 0 0 0 51118 1 0 0 0 0 51119 1 0 0 0 0 52 55 1 0 0 0 0 52120 1 0 0 0 0 52121 1 0 0 0 0 53 56 1 0 0 0 0 53122 1 0 0 0 0 53123 1 0 0 0 0 54 57 1 0 0 0 0 54124 1 0 0 0 0 54125 1 0 0 0 0 55 58 1 0 0 0 0 55126 1 0 0 0 0 55127 1 0 0 0 0 56128 1 0 0 0 0 56129 1 0 0 0 0 56130 1 0 0 0 0 57131 1 0 0 0 0 57132 1 0 0 0 0 57133 1 0 0 0 0 58134 1 0 0 0 0 58135 1 0 0 0 0 58136 1 0 0 0 0 M CHG 1 1 1 M END > 60123284 > 1 > 1250 > 2 > 0 > 21 > AAADcfB/AAAAAAAAAAAAAAAAAAAAAWLEAAAwYMAAAAAAAFgBUAAAHAAAAAAADgjBGAQywIMAAACgAyRiRACCAAAhAgAIiAA4ZJgIICLAkZGEIAhggADIyAcQgMAPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 1-heptyl-2-[3-(1-heptyl-3,3-dimethyl-indolin-2-ylidene)-2-[(Z)-(1-heptyl-3,3-dimethyl-indolin-2-ylidene)methyl]prop-1-enyl]-3,3-dimethyl-indol-1-ium > 1-heptyl-2-[3-(1-heptyl-3,3-dimethyl-2-indol-1-iumyl)-2-[(Z)-(1-heptyl-3,3-dimethyl-2-indolylidene)methyl]prop-2-enylidene]-3,3-dimethylindole > 1-heptyl-2-[3-(1-heptyl-3,3-dimethylindol-1-ium-2-yl)-2-[(Z)-(1-heptyl-3,3-dimethylindol-2-ylidene)methyl]prop-2-enylidene]-3,3-dimethylindole > 1-heptyl-2-[3-(1-heptyl-3,3-dimethylindol-1-ium-2-yl)-2-[(Z)-(1-heptyl-3,3-dimethylindol-2-ylidene)methyl]prop-2-enylidene]-3,3-dimethylindole > 1-heptyl-2-[3-(1-heptyl-3,3-dimethyl-indol-1-ium-2-yl)-2-[(Z)-(1-heptyl-3,3-dimethyl-indol-2-ylidene)methyl]prop-2-enylidene]-3,3-dimethyl-indole > 1-heptyl-2-[3-(1-heptyl-3,3-dimethyl-indolin-2-ylidene)-2-[(Z)-(1-heptyl-3,3-dimethyl-indolin-2-ylidene)methyl]prop-1-enyl]-3,3-dimethyl-indol-1-ium > InChI=1S/C55H78N3/c1-10-13-16-19-28-37-56-47-34-25-22-31-44(47)53(4,5)50(56)40-43(41-51-54(6,7)45-32-23-26-35-48(45)57(51)38-29-20-17-14-11-2)42-52-55(8,9)46-33-24-27-36-49(46)58(52)39-30-21-18-15-12-3/h22-27,31-36,40-42H,10-21,28-30,37-39H2,1-9H3/q+1 > RXMZMOBMYLZBMC-UHFFFAOYSA-N > 17.4 > 780.61957450 > C55H78N3+ > 781.2 > CCCCCCCN1C2=CC=CC=C2C(C1=CC(=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCC)C=C5C(C6=CC=CC=C6N5CCCCCCC)(C)C)(C)C > CCCCCCCN1C2=CC=CC=C2C(C1=CC(=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCC)/C=C\5/C(C6=CC=CC=C6N5CCCCCCC)(C)C)(C)C > 9.5 > 780.61957450 > 1 > 58 > 0 > 0 > 1 > 1 > 0 > 1 > -1 > 1 5 255 > 10 13 8 10 32 8 11 14 8 11 33 8 12 15 8 12 34 8 13 35 8 14 36 8 15 37 8 32 41 8 33 42 8 34 43 8 35 44 8 36 45 8 37 46 8 41 44 8 42 45 8 43 46 8 7 17 1 8 18 1 $$$$