5-oxidanylidene-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-1-(3-sulfophenyl)-4H-pyrazole-3-carboxylic acid

Systemtic Name: 5-oxidanylidene-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-1-(3-sulfophenyl)-4H-pyrazole-3-carboxylic acid Openeye Name: 5-oxo-4-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-1-(3-sulfophenyl)-4H-pyrazole-3-carboxylic acid CAS Name: 5-oxo-4-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-1-(3-sulfophenyl)-4H-pyrazole-3-carboxylic acid IUPAC Name: 5-oxo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-1-(3-sulfophenyl)-4H-pyrazole-3-carboxylic acid Traditional Name: 5-keto-1-(3-sulfophenyl)-4-[4-(2-sulfoxyethylsulfonyl)phenyl]azo-2-pyrazoline-3-carboxylic acid Formula: C18H16N4O12S3 MolecularWeight: 576.53424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)N2C(=O)C(C(=N2)C(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)N2C(=O)C(C(=N2)C(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C18H16N4O12S3/c23-17-15(16(18(24)25)21-22(17)12-2-1-3-14(10-12)36(28,29)30)20-19-11-4-6-13(7-5-11)35(26,27)9-8-34-37(31,32)33/h1-7,10,15H,8-9H2,(H,24,25)(H,28,29,30)(H,31,32,33)