6147071 -OEChem-05102403472D 100105 0 0 0 0 0 0 0999 V2000 12.8513 -2.4945 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8259 -4.2412 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5406 -3.4450 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.8018 -2.8051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9008 -2.1838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6197 -5.2197 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.8044 -4.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0321 -3.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4476 1.8457 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2691 -1.7215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4476 3.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8752 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3938 3.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8640 2.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3938 2.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6375 4.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7549 4.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 0.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2476 -1.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2598 3.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2598 1.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8048 0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5582 -2.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1258 3.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8640 2.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 0.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1258 2.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2438 4.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4941 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5368 -3.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0358 3.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3640 1.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 0.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1418 5.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1619 -1.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8474 -4.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0439 4.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3640 1.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8640 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0011 4.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1353 4.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2740 3.5393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3449 4.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9455 4.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1650 4.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -0.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2912 -0.5772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7675 -1.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3892 0.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7087 0.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1557 0.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5900 1.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7544 0.4073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8614 -1.8403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 -1.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2598 1.0304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -3.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3517 -0.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1873 0.6388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9444 -2.9656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5377 -3.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5540 3.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 0.5893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6628 1.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -4.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7033 4.9957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9472 -0.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1115 -1.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1506 -2.9971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5573 -2.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5692 3.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -4.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6740 1.2474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6740 -0.4846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1394 5.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.0557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7089 -1.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5445 -1.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2336 -4.1223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8268 -4.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5820 5.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0540 2.3213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 1.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 0.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 47 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 48 1 0 0 0 0 9 15 2 0 0 0 0 9 17 1 0 0 0 0 9 23 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 17 2 0 0 0 0 13 25 1 0 0 0 0 14 18 2 0 0 0 0 14 26 1 0 0 0 0 15 33 1 0 0 0 0 16 34 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 29 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 30 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 31 1 0 0 0 0 25 37 2 0 0 0 0 26 32 1 0 0 0 0 26 38 2 0 0 0 0 27 35 2 0 0 0 0 27 70 1 0 0 0 0 28 36 2 0 0 0 0 28 71 1 0 0 0 0 29 39 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 40 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 35 1 0 0 0 0 31 41 2 0 0 0 0 32 36 1 0 0 0 0 32 42 2 0 0 0 0 33 43 2 0 0 0 0 33 76 1 0 0 0 0 34 44 1 0 0 0 0 34 77 1 0 0 0 0 35 78 1 0 0 0 0 36 79 1 0 0 0 0 37 45 1 0 0 0 0 37 80 1 0 0 0 0 38 46 1 0 0 0 0 38 81 1 0 0 0 0 39 47 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0 40 48 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 41 49 1 0 0 0 0 41 86 1 0 0 0 0 42 50 1 0 0 0 0 42 87 1 0 0 0 0 43 51 1 0 0 0 0 43 88 1 0 0 0 0 44 52 2 0 0 0 0 44 89 1 0 0 0 0 45 49 2 0 0 0 0 45 90 1 0 0 0 0 46 50 2 0 0 0 0 46 91 1 0 0 0 0 47 92 1 0 0 0 0 47 93 1 0 0 0 0 48 94 1 0 0 0 0 48 95 1 0 0 0 0 49 96 1 0 0 0 0 50 97 1 0 0 0 0 51 53 2 0 0 0 0 51 98 1 0 0 0 0 52 53 1 0 0 0 0 52 99 1 0 0 0 0 53100 1 0 0 0 0 M CHG 3 3 -1 6 -1 9 1 M END > 6147071 > 1 > 1520 > 7 > 0 > 12 > AAADcfB/OABgAAAAAAAAAAAAAAAAAWIAAAAwYMGAAAAAAFjBVAAAHAQAAAAADgjFWASywMMAAAKgAyRiRHDCAAAhAgAIiAA4ZJgIICLAkZGEIAhggADIyAcQgMAPiAACQAASAAAQAASAACQAAAAAAAAAAA== > 4-[(2Z)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethyl-benzo[e]indol-3-yl]butane-1-sulfonate > 4-[(2Z)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-2-benzo[e]indol-3-iumyl]hepta-2,4,6-trienylidene]-1,1-dimethyl-3-benzo[e]indolyl]-1-butanesulfonate > 4-[(2Z)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate > 4-[(2Z)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate > 4-[(2Z)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethyl-benzo[e]indol-3-yl]butane-1-sulfonate > 4-[(2Z)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benz[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethyl-benz[e]indol-3-yl]butane-1-sulfonate > InChI=1S/C43H48N2O6S2/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51)/p-1 > BDBMLMBYCXNVMC-UHFFFAOYSA-M > 8.4 > 751.28755457 > C43H47N2O6S2- > 752.0 > CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C > CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=C/C=C/C=C/C=C\4/C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C > 137 > 751.28755457 > -1 > 53 > 0 > 0 > 4 > 0 > 0 > 1 > -1 > 1 5 255 > 13 17 8 13 25 8 14 18 8 14 26 8 17 27 8 18 28 8 25 31 8 25 37 8 26 32 8 26 38 8 27 35 8 28 36 8 31 35 8 31 41 8 32 36 8 32 42 8 37 45 8 38 46 8 41 49 8 42 50 8 45 49 8 46 50 8 $$$$