9875677 -OEChem-05072401592D 81 84 0 0 0 0 0 0 0999 V2000 3.0000 6.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -6.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 6.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -7.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.7942 7.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.0000 7.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1340 -6.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.9282 7.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -6.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -5.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9282 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 0.0000 0.0000 C 0 3 0 0 0 0 0 0 0 0 0 0 5.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5252 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5252 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 1 46 1 0 0 0 0 2 7 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 47 1 0 0 0 0 3 8 1 0 0 0 0 3 13 2 0 0 0 0 3 14 2 0 0 0 0 3 48 1 0 0 0 0 15 28 1 0 0 0 0 15 37 1 0 0 0 0 15 67 1 0 0 0 0 16 29 1 0 0 0 0 16 38 1 0 0 0 0 16 68 1 0 0 0 0 17 30 1 0 0 0 0 17 39 1 0 0 0 0 17 69 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 25 1 0 0 0 0 20 23 2 0 0 0 0 20 26 1 0 0 0 0 21 24 2 0 0 0 0 21 27 1 0 0 0 0 22 31 1 0 0 0 0 22 55 1 0 0 0 0 23 32 1 0 0 0 0 23 56 1 0 0 0 0 24 33 1 0 0 0 0 24 57 1 0 0 0 0 25 34 2 0 0 0 0 25 58 1 0 0 0 0 26 35 2 0 0 0 0 26 59 1 0 0 0 0 27 36 2 0 0 0 0 27 60 1 0 0 0 0 28 31 2 0 0 0 0 28 34 1 0 0 0 0 29 32 2 0 0 0 0 29 35 1 0 0 0 0 30 33 2 0 0 0 0 30 36 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 37 40 2 0 0 0 0 37 43 1 0 0 0 0 38 41 2 0 0 0 0 38 44 1 0 0 0 0 39 42 2 0 0 0 0 39 45 1 0 0 0 0 40 49 1 0 0 0 0 40 70 1 0 0 0 0 41 50 1 0 0 0 0 41 71 1 0 0 0 0 42 51 1 0 0 0 0 42 72 1 0 0 0 0 43 52 2 0 0 0 0 43 73 1 0 0 0 0 44 53 2 0 0 0 0 44 74 1 0 0 0 0 45 54 2 0 0 0 0 45 75 1 0 0 0 0 46 49 2 0 0 0 0 46 52 1 0 0 0 0 47 50 2 0 0 0 0 47 53 1 0 0 0 0 48 51 2 0 0 0 0 48 54 1 0 0 0 0 49 76 1 0 0 0 0 50 77 1 0 0 0 0 51 78 1 0 0 0 0 52 79 1 0 0 0 0 53 80 1 0 0 0 0 54 81 1 0 0 0 0 M CHG 6 4 1 5 1 6 -1 7 -1 8 -1 18 1 M END > 9875677 > 1 > 1220 > 12 > 3 > 9 > AAADceB/PDBgAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAAABVAAAHAQQAAAADAiBWAAwwYLAAAKAAiRCQHDCAEAhAgAIiBgAZIgIIGLAkZGEIAhgkADIyAcQgMAOiAQAAAAAAAAQCAAAAAAAAAAAAAAAAA== > disodium;4-[4-[bis[4-(4-sulfonatoanilino)phenyl]methyl]anilino]benzenesulfonate > disodium;4-[4-[bis[4-(4-sulfonatoanilino)phenyl]methyl]anilino]benzenesulfonate > disodium;4-[4-[bis[4-(4-sulfonatoanilino)phenyl]methyl]anilino]benzenesulfonate > disodium;4-[4-[bis[4-(4-sulfonatoanilino)phenyl]methyl]anilino]benzenesulfonate > disodium;4-[[4-[bis[4-[(4-sulfonatophenyl)amino]phenyl]methyl]phenyl]amino]benzenesulfonate > disodium;4-[4-[bis[4-(4-sulfonatoanilino)phenyl]methyl]anilino]besylate > InChI=1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-40H,(H2-,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-2 > CLNCBBVMOQOIPF-UHFFFAOYSA-L > 799.07048153 > C37H27N3Na2O9S3 > 799.8 > C1=CC(=CC=C1[C+](C2=CC=C(C=C2)NC3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-])NC6=CC=C(C=C6)S(=O)(=O)[O-].[Na+].[Na+] > C1=CC(=CC=C1[C+](C2=CC=C(C=C2)NC3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-])NC6=CC=C(C=C6)S(=O)(=O)[O-].[Na+].[Na+] > 233 > 799.07048153 > 0 > 54 > 0 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 19 22 8 19 25 8 20 23 8 20 26 8 21 24 8 21 27 8 22 31 8 23 32 8 24 33 8 25 34 8 26 35 8 27 36 8 28 31 8 28 34 8 29 32 8 29 35 8 30 33 8 30 36 8 37 40 8 37 43 8 38 41 8 38 44 8 39 42 8 39 45 8 40 49 8 41 50 8 42 51 8 43 52 8 44 53 8 45 54 8 46 49 8 46 52 8 47 50 8 47 53 8 48 51 8 48 54 8 $$$$