Pentasodium 5-{[7-({4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-3-sulfonatophenyl}diazenyl)-8-hydroxy-3,6-disulfonato-1-naphthyl]sulfamoyl}-2-hydroxybenzoate
[CAS# 72379-55-6]

Identification

• Name: Pentasodium 5-{[7-({4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-3-sulfonatophenyl}diazenyl)-8-hydroxy-3,6-disulfonato-1-naphthyl]sulfamoyl}-2-hydroxybenzoate
• Synonyms: Benzoic acid, 5-[[[7-[[4-[(3-carboxy-4-hydroxyphenyl)azo]-3-sulfophenyl]azo]-8-hydroxy-3,6-disulfo-1-naphthalenyl]amino]sulfonyl]-2-hydroxy-, pentasodium salt
• Molecular Formula: C₃₀H₁₆N₅Na₅O₁₈S₄
• Molecular Weight: 977.68
• CAS Registry Number: 72379-55-6
• SMILES: c1cc(c(cc1N=Nc2c(cc3cc(cc(c3c2O)NS(=O)(=O)c4ccc(c(c4)C(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N=Nc5ccc(c(c5)C(=O)[O-])O.[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C30H21N5O18S4.5Na/c36-22-5-2-14(9-18(22)29(39)40)31-33-20-4-1-15(10-24(20)56(48,49)50)32-34-27-25(57(51,52)53)8-13-7-17(55(45,46)47)12-21(26(13)28(27)38)35-54(43,44)16-3-6-23(37)19(11-16)30(41)42;;;;;/h1-12,35-38H,(H,39,40)(H,41,42)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;5*+1/p-5
• InChIKey: MNMBLQHSJMWFTE-UHFFFAOYSA-I