Sodium hydrogen 4-{[4-({4-[(4-sulfonatophenyl)amino]phenyl}{4-[(4-sulfonatophenyl)imino]-2,5-cyclohexadien-1-ylidene}methyl)phenyl]amino}-1,2-benzenedisulfonate (3:1:1)
[CAS# 85614-38-6]

Identification

• Name: Sodium hydrogen 4-{[4-({4-[(4-sulfonatophenyl)amino]phenyl}{4-[(4-sulfonatophenyl)imino]-2,5-cyclohexadien-1-ylidene}methyl)phenyl]amino}-1,2-benzenedisulfonate (3:1:1)
• Synonyms: trisodium hydrogen 4-[[4-[[4-[(4-sulphonatophenyl)amino]phenyl][4-[(4-sulphonatophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]benzenedisulphonate
• Molecular Formula: C₃₇H₂₆N₃Na₃O₁₂S₄
• Molecular Weight: 901.84
• CAS Registry Number: 85614-38-6
• EINECS: 287-923-4
• SMILES: [H+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2ccc(cc2)C(c4ccc(Nc3ccc(c(c3)S([O-])(=O)=O)S([O-])(=O)=O)cc4)=C\5/C=C\C(/C=C/5)=Nc6ccc(cc6)S([O-])(=O)=O
• InChI: 1S/C37H29N3O12S4.3Na/c41-53(42,43)33-18-13-30(14-19-33)38-27-7-1-24(2-8-27)37(25-3-9-28(10-4-25)39-31-15-20-34(21-16-31)54(44,45)46)26-5-11-29(12-6-26)40-32-17-22-35(55(47,48)49)36(23-32)56(50,51)52;;;/h1-23,38,40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3
• InChIKey: BUDVUVXNJNGVEF-UHFFFAOYSA-K