60062324 -OEChem-05122406242D 85 89 0 1 0 0 0 0 0999 V2000 8.4939 -1.2187 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.4630 3.2700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.8894 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2677 1.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 2.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.2813 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9348 2.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4348 3.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0097 1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8594 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7187 3.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0866 -1.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9348 2.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -4.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9348 4.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9249 4.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4348 3.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9348 4.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -5.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1806 5.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 -5.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.9013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7060 0.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1045 0.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1604 1.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3633 1.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9570 2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5941 0.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4698 0.7901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4254 1.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2935 1.2165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6063 0.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4254 0.7102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6838 0.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2853 0.1737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2853 -0.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6838 -1.3013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1434 4.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3911 3.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9609 -1.1378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 -0.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7809 -1.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6526 -1.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3397 -0.8012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5206 -1.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2448 2.0763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -3.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -5.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 -4.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6248 4.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3819 -2.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5002 4.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2526 5.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0548 3.4793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0898 -6.1595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8474 -5.9119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2448 4.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5947 6.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7192 5.9983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7666 5.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4704 -4.7714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7359 -5.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2147 -5.9847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 21 1 0 0 0 0 3 12 2 0 0 0 0 3 18 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 25 2 0 0 0 0 9 28 2 0 0 0 0 10 13 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 17 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 26 1 0 0 0 0 13 45 1 0 0 0 0 14 18 1 0 0 0 0 14 31 2 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 20 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 32 2 0 0 0 0 19 22 2 0 0 0 0 20 22 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 30 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 29 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 33 1 0 0 0 0 25 64 1 0 0 0 0 26 29 2 0 0 0 0 26 65 1 0 0 0 0 27 35 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 34 1 0 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 30 38 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 36 1 0 0 0 0 31 72 1 0 0 0 0 32 37 1 0 0 0 0 32 73 1 0 0 0 0 33 34 2 0 0 0 0 33 74 1 0 0 0 0 34 77 1 0 0 0 0 35 39 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 36 37 2 0 0 0 0 36 78 1 0 0 0 0 37 79 1 0 0 0 0 38 80 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 39 85 1 0 0 0 0 M CHG 1 3 1 M END > 60062324 > 1 > 1010 > 1 > 0 > 8 > AAADcfB/AAAEAAAAAAAAAAAAAAAAAWIAAAAwYIAAAAAAAFgBQAAAHAIAAAAADwrBGAQywIMAAACgAyRiRACCAAAhAgAIiAA4ZpgIICLBkZGEIAhggADIyAcQgMAPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 2-[(Z)-2-[2-chloro-3-[(2E)-2-(3,3-dimethyl-1-propyl-indolin-2-ylidene)ethyl]cyclohexen-1-yl]vinyl]-3,3-dimethyl-1-propyl-indol-1-ium > (2E)-2-[2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propyl-2-indol-1-iumyl)ethenyl]-1-cyclohex-2-enyl]ethylidene]-3,3-dimethyl-1-propylindole > (2E)-2-[2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-yl]ethylidene]-3,3-dimethyl-1-propylindole > (2E)-2-[2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-yl]ethylidene]-3,3-dimethyl-1-propylindole > (2E)-2-[2-[2-chloranyl-3-[(Z)-2-(3,3-dimethyl-1-propyl-indol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-yl]ethylidene]-3,3-dimethyl-1-propyl-indole > 2-[(Z)-2-[2-chloro-3-[(2E)-2-(3,3-dimethyl-1-propyl-indolin-2-ylidene)ethyl]cyclohexen-1-yl]vinyl]-3,3-dimethyl-1-propyl-indol-1-ium > InChI=1S/C36H46ClN2/c1-7-24-38-30-18-11-9-16-28(30)35(3,4)32(38)22-20-26-14-13-15-27(34(26)37)21-23-33-36(5,6)29-17-10-12-19-31(29)39(33)25-8-2/h9-12,16-20,22-23,27H,7-8,13-15,21,24-25H2,1-6H3/q+1/b22-20-,33-23+ > MMCVURVUPLEGGP-ITERAFBVSA-N > 9.4 > 541.3349522 > C36H46ClN2+ > 542.2 > CCCN1C2=CC=CC=C2C(C1=CCC3CCCC(=C3Cl)C=CC4=[N+](C5=CC=CC=C5C4(C)C)CCC)(C)C > CCCN\1C2=CC=CC=C2C(/C1=C\CC3CCCC(=C3Cl)/C=C\C4=[N+](C5=CC=CC=C5C4(C)C)CCC)(C)C > 6.2 > 541.3349522 > 1 > 39 > 0 > 1 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 14 18 8 14 31 8 18 32 8 25 33 8 28 34 8 31 36 8 32 37 8 33 34 8 36 37 8 7 10 3 8 25 8 8 9 8 9 28 8 $$$$