2-[[3-methyl-5-oxidanylidene-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzoic acid

Systemtic Name: 2-[[3-methyl-5-oxidanylidene-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[[3-methyl-5-oxo-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 2-[[3-methyl-5-oxo-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 2-[[3-methyl-5-oxo-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 2-[[5-keto-3-methyl-1-[4-(2-sulfoxyethylsulfonyl)phenyl]-2-pyrazolin-4-yl]azo]benzoic acid Formula: C19H18N4O9S2 MolecularWeight: 510.49762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C19H18N4O9S2/c1-12-17(21-20-16-5-3-2-4-15(16)19(25)26)18(24)23(22-12)13-6-8-14(9-7-13)33(27,28)11-10-32-34(29,30)31/h2-9,17H,10-11H2,1H3,(H,25,26)(H,29,30,31)