60091165 -OEChem-05122402082D 66 69 0 0 0 0 0 0 0999 V2000 8.2619 1.9583 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.1536 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.7506 -0.7428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3568 -1.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0938 -2.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9598 -1.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 3.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 3.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6863 -2.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4439 -1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4184 0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0938 -3.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8258 -2.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9598 -3.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8258 -3.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3970 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8519 2.8472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9905 3.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1248 3.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9609 3.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 4.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7809 3.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2263 -1.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2707 -2.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1464 -2.7052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6971 -0.5733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8780 -0.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 -1.7052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -0.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 0.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6497 0.5767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8921 0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5569 -3.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 2.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 0.7632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3628 -1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9598 -4.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3628 -3.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 -0.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -1.0027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 -0.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2691 -0.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0036 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5248 0.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 0.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -0.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 6 2 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 20 1 0 0 0 0 7 10 1 0 0 0 0 7 18 2 0 0 0 0 8 21 2 0 0 0 0 9 11 1 0 0 0 0 9 19 2 0 0 0 0 10 22 2 0 0 0 0 11 23 2 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 28 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 29 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 24 1 0 0 0 0 18 49 1 0 0 0 0 19 25 1 0 0 0 0 19 50 1 0 0 0 0 20 30 2 0 0 0 0 20 51 1 0 0 0 0 21 31 1 0 0 0 0 21 52 1 0 0 0 0 22 26 1 0 0 0 0 22 53 1 0 0 0 0 23 27 1 0 0 0 0 23 54 1 0 0 0 0 24 26 2 0 0 0 0 24 55 1 0 0 0 0 25 27 2 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 32 1 0 0 0 0 30 65 1 0 0 0 0 31 32 2 0 0 0 0 31 66 1 0 0 0 0 M CHG 1 2 1 M END > 60091165 > 1 > 764 > 1 > 0 > 5 > AAADcfB7AAAAEAAAAAAAAAAAAAAAAWIAAAAwYAAAAAAAAFgBQAAAHABAAAABjgjBGAQywIMAAACgAyRiRACCAAAhAgAIiAA4ZJgIICLAkZGEIAhggADIyAcQgMAPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 2-[(1E,3Z,5E)-3-bromo-5-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)penta-1,3-dienyl]-1-ethyl-3,3-dimethyl-indol-1-ium > (2E)-2-[(2Z,4E)-3-bromo-5-(1-ethyl-3,3-dimethyl-2-indol-1-iumyl)penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole > (2E)-2-[(2Z,4E)-3-bromo-5-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole > (2E)-2-[(2Z,4E)-3-bromo-5-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole > (2E)-2-[(2Z,4E)-3-bromanyl-5-(1-ethyl-3,3-dimethyl-indol-1-ium-2-yl)penta-2,4-dienylidene]-1-ethyl-3,3-dimethyl-indole > 2-[(1E,3Z,5E)-3-bromo-5-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)penta-1,3-dienyl]-1-ethyl-3,3-dimethyl-indol-1-ium > InChI=1S/C29H34BrN2/c1-7-31-24-15-11-9-13-22(24)28(3,4)26(31)19-17-21(30)18-20-27-29(5,6)23-14-10-12-16-25(23)32(27)8-2/h9-20H,7-8H2,1-6H3/q+1 > VYOKNGGAWOPKNF-UHFFFAOYSA-N > 7.4 > 489.19054 > C29H34BrN2+ > 490.5 > CCN1C2=CC=CC=C2C(C1=CC=C(C=CC3=[N+](C4=CC=CC=C4C3(C)C)CC)Br)(C)C > CCN\1C2=CC=CC=C2C(/C1=C\C=C(\C=C\C3=[N+](C4=CC=CC=C4C3(C)C)CC)/Br)(C)C > 6.2 > 489.19054 > 1 > 32 > 0 > 0 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 10 22 8 11 23 8 18 24 8 19 25 8 22 26 8 23 27 8 24 26 8 25 27 8 7 10 8 7 18 8 9 11 8 9 19 8 $$$$