tetrasodium 2-[1-[[4-[4-[[2-[2-carboxylato-4-[(4-sulfonatophenyl)carbamoylamino]phenyl]azo-3-hydroxy-but-2-enoyl]amino]-3-methyl-phenyl]-2-methyl-phenyl]carbamoyl]-2-hydroxy-prop-1-enyl]azo-5-[(4-sulfonatophenyl)carbamoylamino]benzoate
[CAS# 94160-42-6]

Identification

• Name: tetrasodium 2-[1-[[4-[4-[[2-[2-carboxylato-4-[(4-sulfonatophenyl)carbamoylamino]phenyl]azo-3-hydroxy-but-2-enoyl]amino]-3-methyl-phenyl]-2-methyl-phenyl]carbamoyl]-2-hydroxy-prop-1-enyl]azo-5-[(4-sulfonatophenyl)carbamoylamino]benzoate
• Synonyms: tetrasodium 2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[imino[1-(1-hydroxyethylidene)-2-oxo-2,1-ethanediyl]azo]]bis[5-[[[(4-sulphonatophenyl)amino]carbonyl]amino]benzoate]
• Molecular Formula: C₅₀H₄₀N₁₀Na₄O₁₆S₂
• Molecular Weight: 1193.00
• CAS Registry Number: 94160-42-6
• EINECS: 303-326-4
• SMILES: [Na+].[Na+].[Na+].[Na+].O=C(Nc1ccc(cc1C)c4ccc(NC(=O)C(N=Nc3ccc(NC(=O)Nc2ccc(cc2)S([O-])(=O)=O)cc3C([O-])=O)=C(C)O)c(C)c4)C(N=Nc6ccc(NC(=O)Nc5ccc(cc5)S([O-])(=O)=O)cc6C([O-])=O)=C(C)O
• InChI: 1S/C50H44N10O16S2.4Na/c1-25-21-29(5-17-39(25)55-45(63)43(27(3)61)59-57-41-19-11-33(23-37(41)47(65)66)53-49(69)51-31-7-13-35(14-8-31)77(71,72)73)30-6-18-40(26(2)22-30)56-46(64)44(28(4)62)60-58-42-20-12-34(24-38(42)48(67)68)54-50(70)52-32-9-15-36(16-10-32)78(74,75)76;;;;/h5-24,61-62H,1-4H3,(H,55,63)(H,56,64)(H,65,66)(H,67,68)(H2,51,53,69)(H2,52,54,70)(H,71,72,73)(H,74,75,76);;;;/q;4*+1/p-4
• InChIKey: VCIPNUSVYSMACY-UHFFFAOYSA-J