11967987 -OEChem-04232422342D 80 83 0 0 0 0 0 0 0999 V2000 5.0203 4.6200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0203 5.6200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0203 4.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0203 4.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 12.2400 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7875 11.2096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 13.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3937 10.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 13.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 11.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 13.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1307 9.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 12.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9967 10.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0252 14.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 14.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7233 9.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4809 10.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 13.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2988 12.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5259 11.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4554 11.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 14.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1307 8.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2988 12.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 12.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8628 9.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 13.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9967 8.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 12.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8628 8.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 10.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4339 11.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0203 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0203 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8863 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1543 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8863 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1543 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0203 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 13.9336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5275 14.7994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6617 14.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4978 14.9916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7173 15.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 14.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2632 10.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3076 9.2029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 9.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 11.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9149 11.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2277 10.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 13.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6088 12.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9084 10.8016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0728 11.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6866 12.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9290 12.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 14.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5938 8.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9888 11.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3997 10.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 13.8547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9967 7.6178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 12.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3997 8.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3966 10.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 10.0837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3195 10.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3060 11.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0406 11.6198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5617 12.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4232 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6173 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4232 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6173 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4003 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0203 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6403 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 34 1 0 0 0 0 5 9 2 0 0 0 0 5 13 1 0 0 0 0 5 21 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 2 0 0 0 0 11 13 1 0 0 0 0 11 23 2 0 0 0 0 12 14 1 0 0 0 0 12 24 2 0 0 0 0 13 26 2 0 0 0 0 14 27 2 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 25 2 0 0 0 0 19 53 1 0 0 0 0 20 25 1 0 0 0 0 20 54 1 0 0 0 0 21 32 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 33 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 28 1 0 0 0 0 23 59 1 0 0 0 0 24 29 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 26 30 1 0 0 0 0 26 62 1 0 0 0 0 27 31 1 0 0 0 0 27 63 1 0 0 0 0 28 30 2 0 0 0 0 28 64 1 0 0 0 0 29 31 2 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 35 40 1 0 0 0 0 36 38 1 0 0 0 0 36 74 1 0 0 0 0 37 39 2 0 0 0 0 37 75 1 0 0 0 0 38 76 1 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 M CHG 2 2 -1 5 1 M END > 11967987 > 1 > 843 > 4 > 0 > 4 > AAADcfB/MABAAAAAAAAAAAAAAAAAAWIAAAAwYMAAAAAAAFgBUAAAHAQAAAAADgjBWAQywYMAAAKgAyRiRHDCAEAhAgAIiBg4ZJgIICLAkZGEIAhggADIyAcQgMAPkAAAAAACAAAgAAAAAAQAAAAAAAAAAA== > 1-ethyl-2-[(E,3E)-3-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium;4-methylbenzenesulfonate > (2E)-1-ethyl-2-[(E)-3-(1-ethyl-3,3-dimethyl-2-indol-1-iumyl)prop-2-enylidene]-3,3-dimethylindole;4-methylbenzenesulfonate > (2E)-1-ethyl-2-[(E)-3-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;4-methylbenzenesulfonate > (2E)-1-ethyl-2-[(E)-3-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;4-methylbenzenesulfonate > (2E)-1-ethyl-2-[(E)-3-(1-ethyl-3,3-dimethyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indole;4-methylbenzenesulfonate > 1-ethyl-2-[(E,3E)-3-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium;tosylate > InChI=1S/C27H33N2.C7H8O3S/c1-7-28-22-16-11-9-14-20(22)26(3,4)24(28)18-13-19-25-27(5,6)21-15-10-12-17-23(21)29(25)8-2;1-6-2-4-7(5-3-6)11(8,9)10/h9-19H,7-8H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 > LWRDWVPZCVNXCD-UHFFFAOYSA-M > 556.27596432 > C34H40N2O3S > 556.8 > CCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CC)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] > CCN\1C2=CC=CC=C2C(/C1=C\C=C\C3=[N+](C4=CC=CC=C4C3(C)C)CC)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] > 71.8 > 556.27596432 > 0 > 40 > 0 > 0 > 2 > 0 > 0 > 2 > 1 > 1 5 255 > 11 13 8 11 23 8 12 14 8 12 24 8 13 26 8 14 27 8 23 28 8 24 29 8 26 30 8 27 31 8 28 30 8 29 31 8 34 36 8 34 37 8 35 38 8 35 39 8 36 38 8 37 39 8 $$$$