Hexasodium 3,3'-{1,2-ethenediylbis[(3-sulfonato-4,1-phenylene)-2,1-diazenediyl(2-methyl-4,1-phenylene)-2,1-diazenediyl]}di(1,5-naphthalenedisulfonate)
[CAS# 72828-86-5]

Identification

• Name: Hexasodium 3,3'-{1,2-ethenediylbis[(3-sulfonato-4,1-phenylene)-2,1-diazenediyl(2-methyl-4,1-phenylene)-2,1-diazenediyl]}di(1,5-naphthalenedisulfonate)
• Synonyms: 1,5-Naphthalenedisulfonic acid, 3,3'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)azo(2-methyl-4,1-phenylene)azo]]bis-, hexasodium salt
• Molecular Formula: C₄₈H₃₀N₈Na₆O₁₈S₆
• Molecular Weight: 1337.12
• CAS Registry Number: 72828-86-5
• SMILES: Cc1cc(ccc1N=Nc2cc3c(cccc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])N=Nc4ccc(c(c4)S(=O)(=O)[O-])C=Cc5ccc(cc5S(=O)(=O)[O-])N=Nc6ccc(c(c6)C)N=Nc7cc8c(cccc8S(=O)(=O)[O-])c(c7)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C48H36N8O18S6.6Na/c1-27-19-31(15-17-41(27)55-53-35-21-39-37(47(25-35)79(69,70)71)5-3-7-43(39)75(57,58)59)49-51-33-13-11-29(45(23-33)77(63,64)65)9-10-30-12-14-34(24-46(30)78(66,67)68)52-50-32-16-18-42(28(2)20-32)56-54-36-22-40-38(48(26-36)80(72,73)74)6-4-8-44(40)76(60,61)62;;;;;;/h3-26H,1-2H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74);;;;;;/q;6*+1/p-6
• InChIKey: NDLZMQYYHBRICE-UHFFFAOYSA-H