5-[2-[3-methyl-5-oxidanylidene-4-[(2-sulfophenyl)diazenyl]-4H-pyrazol-1-yl]-4-sulfo-phenyl]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-methyl-5-oxidanylidene-4-[(2-sulfophenyl)diazenyl]-4H-pyrazol-1-yl]-4-sulfo-phenyl]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-[3-methyl-5-oxo-4-(2-sulfophenyl)azo-4H-pyrazol-1-yl]-4-sulfo-phenyl]sulfonyl-benzoic acid CAS Name: 2-hydroxy-5-[2-[3-methyl-5-oxo-4-(2-sulfophenyl)azo-4H-pyrazol-1-yl]-4-sulfophenyl]sulfonylbenzoic acid IUPAC Name: 2-hydroxy-5-[2-[3-methyl-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazol-1-yl]-4-sulfophenyl]sulfonylbenzoic acid Traditional Name: 2-hydroxy-5-[2-[5-keto-3-methyl-4-(2-sulfophenyl)azo-2-pyrazolin-1-yl]-4-sulfo-phenyl]sulfonyl-benzoic acid Formula: C23H18N4O12S3 MolecularWeight: 638.60362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2S(=O)(=O)O)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2S(=O)(=O)O)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C23H18N4O12S3/c1-12-21(25-24-16-4-2-3-5-19(16)42(37,38)39)22(29)27(26-12)17-11-14(41(34,35)36)7-9-20(17)40(32,33)13-6-8-18(28)15(10-13)23(30)31/h2-11,21,28H,1H3,(H,30,31)(H,34,35,36)(H,37,38,39)