21223 -OEChem-04262409522D 87 89 0 1 0 0 0 0 0999 V2000 15.8564 4.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -5.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 16.7224 6.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 15.8564 5.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.8564 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8564 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 2.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -6.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.6602 -5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3704 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6104 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4534 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 45 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 46 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 3 14 2 0 0 0 0 3 47 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 15 24 1 0 0 0 0 16 19 2 0 0 0 0 16 23 1 0 0 0 0 16 25 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 17 26 1 0 0 0 0 18 27 2 0 0 0 0 18 28 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 29 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 30 2 0 0 0 0 21 31 1 0 0 0 0 22 34 1 0 0 0 0 22 35 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 58 1 0 0 0 0 24 59 1 0 0 0 0 25 38 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 41 2 0 0 0 0 26 42 1 0 0 0 0 27 30 1 0 0 0 0 27 62 1 0 0 0 0 28 31 2 0 0 0 0 28 63 1 0 0 0 0 29 39 2 0 0 0 0 29 43 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 32 34 2 0 0 0 0 32 66 1 0 0 0 0 33 35 2 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 36 40 2 0 0 0 0 36 44 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 45 1 0 0 0 0 39 76 1 0 0 0 0 40 46 1 0 0 0 0 40 77 1 0 0 0 0 41 48 1 0 0 0 0 41 78 1 0 0 0 0 42 49 2 0 0 0 0 42 79 1 0 0 0 0 43 50 2 0 0 0 0 43 80 1 0 0 0 0 44 51 2 0 0 0 0 44 81 1 0 0 0 0 45 52 2 0 0 0 0 46 53 2 0 0 0 0 47 48 2 0 0 0 0 47 49 1 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 5 1 6 -1 9 -1 12 -1 16 1 M END > 21223 > 1 > 1500 > 10 > 0 > 9 > AAADcfB/PDBgAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAAABVAAAHAQAAAAADAjBWAQywYMAAAKgAyRiRHDCAEAhAgAIiBgYZJgIICLAkZGEIAhggADIyAcQgMAOGAAAgAAAAAAwAAEAAAAAAAAAAAAAAA== > disodium;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]benzenesulfonate > disodium;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]-1-cyclohexa-2,5-dienylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]benzenesulfonate > disodium;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]benzenesulfonate > disodium;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]benzenesulfonate > disodium;3-[[ethyl-[4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]phenyl]amino]methyl]benzenesulfonate > disodium;3-[[N-ethyl-4-[[4-[ethyl-(3-sulfonatobenzyl)iminio]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]besylate > InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2 > DGOBMKYRQHEFGQ-UHFFFAOYSA-L > 792.12218275 > C37H34N2Na2O9S3 > 792.9 > 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=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+] > 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=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+] > 203 > 792.12218275 > 0 > 53 > 0 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 18 27 8 18 28 8 21 30 8 21 31 8 26 41 8 26 42 8 27 30 8 28 31 8 29 39 8 29 43 8 36 40 8 36 44 8 39 45 8 40 46 8 41 48 8 42 49 8 43 50 8 44 51 8 45 52 8 46 53 8 47 48 8 47 49 8 50 52 8 51 53 8 $$$$