17559 -OEChem-04262422002D 95 97 0 1 0 0 0 0 0999 V2000 4.2441 2.2936 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2794 9.8617 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.9734 4.0092 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0704 1.3089 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2593 2.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4177 3.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6214 10.8014 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3397 10.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2191 9.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6162 3.2431 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.7394 4.6520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2073 3.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 6.6239 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.3762 4.2543 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3697 16.4122 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3697 13.3383 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4369 3.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7941 4.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4217 3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5086 5.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 4.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 6.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7182 5.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0949 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2078 7.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0189 3.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1362 5.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8093 4.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0645 2.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7638 4.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4934 6.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1665 4.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0493 3.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7486 4.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2382 7.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7030 5.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2289 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6769 2.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5802 8.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3458 4.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2534 7.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0450 6.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2289 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9374 8.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3306 4.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0949 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 7.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0298 6.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9526 8.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6726 5.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 6.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 5.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7182 5.8140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1076 5.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2078 8.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 7.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5559 3.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4175 3.9632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7467 5.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5973 3.5695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7054 6.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 4.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8525 2.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3652 5.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4479 2.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9606 5.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4979 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3003 7.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8032 7.8449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 8.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0943 2.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4649 1.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2595 2.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1908 8.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1337 4.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 6.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6465 6.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6919 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4979 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0949 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2419 7.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5541 9.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2832 5.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9066 16.7222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8328 16.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0597 16.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6797 15.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9066 13.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8328 13.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0597 13.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6797 12.8014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 37 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 46 1 0 0 0 0 3 10 1 0 0 0 0 3 11 2 0 0 0 0 3 12 2 0 0 0 0 3 47 1 0 0 0 0 13 20 1 0 0 0 0 13 22 1 0 0 0 0 13 25 1 0 0 0 0 14 21 2 0 0 0 0 14 23 1 0 0 0 0 14 26 1 0 0 0 0 15 88 1 0 0 0 0 15 89 1 0 0 0 0 15 90 1 0 0 0 0 15 91 1 0 0 0 0 16 92 1 0 0 0 0 16 93 1 0 0 0 0 16 94 1 0 0 0 0 16 95 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 24 1 0 0 0 0 18 27 2 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 2 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 36 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 37 1 0 0 0 0 24 38 2 0 0 0 0 25 39 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 40 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 31 1 0 0 0 0 27 62 1 0 0 0 0 28 32 2 0 0 0 0 28 63 1 0 0 0 0 29 33 2 0 0 0 0 29 66 1 0 0 0 0 30 34 2 0 0 0 0 30 67 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 35 41 2 0 0 0 0 35 43 1 0 0 0 0 36 42 2 0 0 0 0 36 44 1 0 0 0 0 37 45 2 0 0 0 0 38 48 1 0 0 0 0 38 70 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 41 46 1 0 0 0 0 41 77 1 0 0 0 0 42 47 1 0 0 0 0 42 78 1 0 0 0 0 43 50 2 0 0 0 0 43 79 1 0 0 0 0 44 51 2 0 0 0 0 44 80 1 0 0 0 0 45 49 1 0 0 0 0 45 81 1 0 0 0 0 46 52 2 0 0 0 0 47 53 2 0 0 0 0 48 49 2 0 0 0 0 48 82 1 0 0 0 0 49 83 1 0 0 0 0 50 52 1 0 0 0 0 50 84 1 0 0 0 0 51 53 1 0 0 0 0 51 85 1 0 0 0 0 52 86 1 0 0 0 0 53 87 1 0 0 0 0 M CHG 6 4 -1 7 -1 10 -1 14 1 15 1 16 1 M END > 17559 > 1 > 1510 > 10 > 2 > 9 > AAADcfB/vABgAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAAABVAAAHAQQAAAADAjBWAQywYMAAAKgAyRiRHDCAEAhAgAIiBgYZJgIICLAkZGEIAhggADIyAcQgMAOCAAAgAAEAAAQAAEAAAgAAAAAAAAAAA== > diammonium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate > diammonium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]-1-cyclohexa-2,5-dienylidene]methyl]benzenesulfonate > diazanium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate > diazanium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate > diazanium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate > diammonium;2-[[4-[ethyl-(3-sulfonatobenzyl)amino]phenyl]-[4-[ethyl-(3-sulfonatobenzyl)iminio]cyclohexa-2,5-dien-1-ylidene]methyl]besylate > InChI=1S/C37H36N2O9S3.2H3N/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);2*1H3 > HMEKVHWROSNWPD-UHFFFAOYSA-N > 782.21139245 > C37H42N4O9S3 > 783.0 > CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[NH4+].[NH4+] > CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[NH4+].[NH4+] > 205 > 782.21139245 > 0 > 53 > 0 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 18 27 8 18 28 8 20 31 8 20 32 8 24 37 8 24 38 8 27 31 8 28 32 8 35 41 8 35 43 8 36 42 8 36 44 8 37 45 8 38 48 8 41 46 8 42 47 8 43 50 8 44 51 8 45 49 8 46 52 8 47 53 8 48 49 8 50 52 8 51 53 8 $$$$