Hexasodium 5-({4-[(8-{[(3-carboxylato-4-hydroxyphenyl)sulfonyl]amino}-1-hydroxy-3,6-disulfonato-2-naphthyl)diazenyl]-3-ethoxy-7-sulfonato-1-naphthyl}diazenyl)-2-hydroxy-3-sulfonatobenzoate
[CAS# 72379-56-7]

Identification

• Name: Hexasodium 5-({4-[(8-{[(3-carboxylato-4-hydroxyphenyl)sulfonyl]amino}-1-hydroxy-3,6-disulfonato-2-naphthyl)diazenyl]-3-ethoxy-7-sulfonato-1-naphthyl}diazenyl)-2-hydroxy-3-sulfonatobenzoate
• Synonyms: Benzoic acid, 5-[[4-[[8-[[(3-carboxy-4-hydroxyphenyl)sulfonyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-3-ethoxy-7-sulfo-1-naphthalenyl]azo]-2-hydroxy-3-sulfo-, hexasodium salt
• Molecular Formula: C₃₆H₂₁N₅Na₆O₂₂S₅
• Molecular Weight: 1173.84
• CAS Registry Number: 72379-56-7
• SMILES: CCOc1cc(c2cc(ccc2c1N=Nc3c(cc4cc(cc(c4c3O)NS(=O)(=O)c5ccc(c(c5)C(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N=Nc6cc(c(c(c6)S(=O)(=O)[O-])O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C36H27N5O22S5.6Na/c1-2-63-27-14-24(38-37-16-9-23(36(47)48)33(43)29(10-16)68(60,61)62)21-12-18(65(51,52)53)3-5-20(21)31(27)39-40-32-28(67(57,58)59)8-15-7-19(66(54,55)56)13-25(30(15)34(32)44)41-64(49,50)17-4-6-26(42)22(11-17)35(45)46;;;;;;/h3-14,41-44H,2H2,1H3,(H,45,46)(H,47,48)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6
• InChIKey: RPXZKWJWGCYNPA-UHFFFAOYSA-H