Sodium 2-[(4-amino-9,10-dioxo-3-sulfo-9,10-dihydro-1-anthracenyl)amino]-4-{[2-(sulfooxy)ethyl]sulfonyl}benzoate
[CAS# 85631-81-8]

Identification

• Name: Sodium 2-[(4-amino-9,10-dioxo-3-sulfo-9,10-dihydro-1-anthracenyl)amino]-4-{[2-(sulfooxy)ethyl]sulfonyl}benzoate
• Synonyms: Sodium 2-((4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino)-4-((2-(sulphooxy)ethyl)sulphonyl)benzoate; sodium 2-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino]-4-[[2-(sulphooxy)ethyl]sulphonyl]benzoate
• Molecular Formula: C₂₃H₁₇N₂NaO₁₃S₃
• Molecular Weight: 648.57
• CAS Registry Number: 85631-81-8
• EINECS: 288-030-2
• SMILES: [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.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;+1/p-1
• InChIKey: WGMYTAYCFFXTRW-UHFFFAOYSA-M