60138920 -OEChem-04252408122D 85 89 0 0 0 0 0 0 0999 V2000 4.6318 -3.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5891 3.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.1842 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.8568 2.2604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2506 1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 2.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5938 2.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2284 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3534 0.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8783 2.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3258 2.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5938 3.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -2.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5676 3.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3258 3.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 4.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -4.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2784 4.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8519 0.5094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9905 1.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1248 1.5139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9609 1.5674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 1.9668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7809 1.1863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0984 0.6398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8346 1.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3583 1.8523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7367 0.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4172 -0.1558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9701 0.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -2.6226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 -1.8427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2644 2.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8577 1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 0.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -0.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8628 2.6174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0568 4.2374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.7824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 1.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6793 -2.3236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3695 -2.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2368 -1.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2368 -0.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -2.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8445 -2.3236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -3.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1814 3.5045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5882 4.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8628 4.2374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 5.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 0.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5024 -4.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 -5.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4254 -4.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8677 4.7665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0858 5.1632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6891 4.3812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 39 1 0 0 0 0 2 33 1 0 0 0 0 2 40 1 0 0 0 0 3 7 2 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 19 1 0 0 0 0 8 20 2 3 0 0 0 9 11 1 0 0 0 0 9 21 2 0 0 0 0 10 12 1 0 0 0 0 10 22 2 0 0 0 0 11 23 2 0 0 0 0 12 24 2 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 32 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 33 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 27 2 3 0 0 0 19 57 1 0 0 0 0 20 28 1 0 0 0 0 20 58 1 0 0 0 0 21 34 1 0 0 0 0 21 59 1 0 0 0 0 22 35 1 0 0 0 0 22 60 1 0 0 0 0 23 36 1 0 0 0 0 23 61 1 0 0 0 0 24 37 1 0 0 0 0 24 62 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 25 38 2 0 0 0 0 26 28 2 3 0 0 0 26 30 1 0 0 0 0 26 38 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 29 31 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 36 2 0 0 0 0 34 75 1 0 0 0 0 35 37 2 0 0 0 0 35 76 1 0 0 0 0 36 77 1 0 0 0 0 37 78 1 0 0 0 0 38 79 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 40 83 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 M CHG 1 3 1 M END > 60138920 > 1 > 981 > 3 > 0 > 9 > AAADcfB/MAAAAAAAAAAAAAAAAAAAAWIAAAAwYIAAAAAAAFgBQAAAHgAAAAAADgjhmAYywIMABACgAyRiRACCAAAhAgAIiAA4ZJgKICLAkZGFIAhggADYyAcQgMAPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 1-(2-methoxyethyl)-2-[2-[3-[2-[1-(2-methoxyethyl)-3,3-dimethyl-indolin-2-ylidene]ethylidene]cyclohexen-1-yl]vinyl]-3,3-dimethyl-indol-1-ium > 1-(2-methoxyethyl)-2-[2-[3-[2-[1-(2-methoxyethyl)-3,3-dimethyl-2-indol-1-iumyl]ethenyl]-1-cyclohex-2-enylidene]ethylidene]-3,3-dimethylindole > 1-(2-methoxyethyl)-2-[2-[3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindole > 1-(2-methoxyethyl)-2-[2-[3-[2-[1-(2-methoxyethyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindole > 1-(2-methoxyethyl)-2-[2-[3-[2-[1-(2-methoxyethyl)-3,3-dimethyl-indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-indole > 1-(2-methoxyethyl)-2-[2-[3-[2-[1-(2-methoxyethyl)-3,3-dimethyl-indolin-2-ylidene]ethylidene]cyclohexen-1-yl]vinyl]-3,3-dimethyl-indol-1-ium > InChI=1S/C36H45N2O2/c1-35(2)29-14-7-9-16-31(29)37(22-24-39-5)33(35)20-18-27-12-11-13-28(26-27)19-21-34-36(3,4)30-15-8-10-17-32(30)38(34)23-25-40-6/h7-10,14-21,26H,11-13,22-25H2,1-6H3/q+1 > DYDNBWYTPQPSGY-UHFFFAOYSA-N > 6.7 > 537.34810368 > C36H45N2O2+ > 537.8 > CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC(=CC=C4C(C5=CC=CC=C5N4CCOC)(C)C)CCC3)CCOC)C > CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC(=CC=C4C(C5=CC=CC=C5N4CCOC)(C)C)CCC3)CCOC)C > 24.7 > 537.34810368 > 1 > 40 > 0 > 0 > 0 > 3 > 0 > 1 > -1 > 1 5 255 > 10 12 8 10 22 8 11 23 8 12 24 8 19 27 1 20 28 1 21 34 8 22 35 8 23 36 8 24 37 8 25 27 1 26 28 1 34 36 8 35 37 8 7 19 1 8 20 1 9 11 8 9 21 8 $$$$