6437093 -OEChem-04162408572D 80 83 0 0 0 0 0 0 0999 V2000 11.3005 6.1296 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3005 7.1296 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.3005 6.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3005 6.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 5.4882 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8937 2.7871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 7.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 3.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 6.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2988 3.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4967 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0252 7.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 8.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2653 3.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 4.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 6.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 4.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5259 4.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9152 2.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3628 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2988 5.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3628 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4967 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6045 1.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3005 5.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3005 3.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4344 4.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1665 4.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4344 3.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1665 3.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3005 2.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 7.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5275 8.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6617 8.1863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4978 8.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7173 8.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 7.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3953 3.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8716 3.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1354 4.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0071 4.5228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4541 5.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7736 4.6503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 6.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1788 4.5609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9084 4.0498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0728 4.8297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8946 3.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3014 2.6682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8997 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9188 5.4269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0938 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8997 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4967 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3966 4.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 3.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3195 3.3793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0152 1.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 1.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1939 1.4377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8975 4.9396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7034 4.9396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8975 3.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7034 3.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6805 2.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3005 1.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9205 2.1296 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 > 6437093 > 1 > 843 > 4 > 0 > 4 > AAADcfB/MABAAAAAAAAAAAAAAAAAAWIAAAAwYMAAAAAAAFgBUAAAHAQAAAAADgjBWAQywYMAAAKgAyRiRHDCAEAhAgAIiBg4ZJgIICLAkZGEIAhggADIyAcQgMAPkAAAAAACAAAgAAAAAAQAAAAAAAAAAA== > 1-ethyl-2-[(Z,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-[(Z)-3-(1-ethyl-3,3-dimethyl-2-indol-1-iumyl)prop-2-enylidene]-3,3-dimethylindole;4-methylbenzenesulfonate > (2E)-1-ethyl-2-[(Z)-3-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;4-methylbenzenesulfonate > (2E)-1-ethyl-2-[(Z)-3-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;4-methylbenzenesulfonate > (2E)-1-ethyl-2-[(Z)-3-(1-ethyl-3,3-dimethyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indole;4-methylbenzenesulfonate > 1-ethyl-2-[(Z,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 $$$$