1H-Pyrazole-3-Carboxylic Acid, 1-[4-[(4-Amino-9,10-Dihydro-9,10-Dioxo-3-Sulfo-1-Anthracenyl)Amino]-3-Sulfophenyl]-4,5-Dihydro-5-Oxo-4-[[4-[[2-(Sulfooxy)Ethyl]Sulfonyl]Phenyl]Azo]-, 3-Methyl Ester, Sodium Salt
[CAS# 94157-78-5]

Identification

• Name: 1H-Pyrazole-3-Carboxylic Acid, 1-[4-[(4-Amino-9,10-Dihydro-9,10-Dioxo-3-Sulfo-1-Anthracenyl)Amino]-3-Sulfophenyl]-4,5-Dihydro-5-Oxo-4-[[4-[[2-(Sulfooxy)Ethyl]Sulfonyl]Phenyl]Azo]-, 3-Methyl Ester, Sodium Salt
• Synonyms: Trisodium 1-Amino-4-[[4-[3-Methoxycarbonyl-5-Oxo-4-[4-(2-Sulfonatooxyethylsulfonyl)Phenyl]Azo-4H-Pyrazol-1-Yl]-2-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Trisodium 1-Amino-4-[[4-[3-Methoxycarbonyl-5-Oxo-4-[4-(2-Sulfonatooxyethylsulfonyl)P
• Molecular Formula: C₃₃H₂₃N₆Na₃O₁₇S₄
• Molecular Weight: 972.78
• CAS Registry Number: 94157-78-5
• EINECS: 303-045-7
• SMILES: C1=C([S]([O-])(=O)=O)C(=C5C(=C1NC4=CC=C(N3N=C(C(N=NC2=CC=C([S](=O)(=O)CCO[S]([O-])(=O)=O)C=C2)C3=O)C(OC)=O)C=C4[S]([O-])(=O)=O)C(=O)C6=C(C5=O)C=CC=C6)N.[Na+].[Na+].[Na+]
• InChI: 1S/C33H26N6O17S4.3Na/c1-55-33(43)29-28(37-36-16-6-9-18(10-7-16)57(44,45)13-12-56-60(52,53)54)32(42)39(38-29)17-8-11-21(23(14-17)58(46,47)48)35-22-15-24(59(49,50)51)27(34)26-25(22)30(40)19-4-2-3-5-20(19)31(26)41;;;/h2-11,14-15,28,35H,12-13,34H2,1H3,(H,46,4
• InChIKey: CAYSUASNOLUUNY-UHFFFAOYSA-K