Potassium sodium 1-amino-4-[(2-carboxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate (1:1:1)
[CAS# 85940-62-1]

Identification

• Name: Potassium sodium 1-amino-4-[(2-carboxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate (1:1:1)
• Synonyms: 2-((4-Amino-9,10-dihydro-9,10-dioxo-3-sulphoanthracen-1-yl)amino)-4-((2-(sulphooxy)ethyl)sulphonyl)benzoic acid, potassium sodium salt; Benzoic acid, 2-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-4-((2-(sulfooxy)ethyl)sulfonyl)-, potassium sodium salt
• Molecular Formula: C₂₃H₁₆KN₂NaO₁₃S₃
• Molecular Weight: 686.66
• CAS Registry Number: 85940-62-1
• EINECS: 288-949-9
• SMILES: [K+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cc(c(C(=O)O)cc1)Nc4c3C(=O)c2ccccc2C(=O)c3c(c(c4)S([O-])(=O)=O)N
• InChI: 1S/C23H18N2O13S3.K.Na/c24-20-17(40(32,33)34)10-16(18-19(20)22(27)13-4-2-1-3-12(13)21(18)26)25-15-9-11(5-6-14(15)23(28)29)39(30,31)8-7-38-41(35,36)37;;/h1-6,9-10,25H,7-8,24H2,(H,28,29)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2
• InChIKey: ZRRHZSUQHZILQT-UHFFFAOYSA-L