2-(3-azanyl-4-sulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-(3-azanyl-4-sulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(3-amino-4-sulfo-phenyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(3-amino-4-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(3-amino-4-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(3-amino-4-sulfo-phenyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C10H9N3O6S MolecularWeight: 299.25996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=O)C=C(N2)C(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N2C(=O)C=C(N2)C(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C10H9N3O6S/c11-6-3-5(1-2-8(6)20(17,18)19)13-9(14)4-7(12-13)10(15)16/h1-4,12H,11H2,(H,15,16)(H,17,18,19)