4-azanyl-2-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid

Systemtic Name: 4-azanyl-2-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: 4-amino-2-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: 4-amino-2-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: 4-amino-2-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: 4-amino-2-(3-carboxyoxy-5-keto-3-pyrazolin-1-yl)besylic acid Formula: C10H9N3O7S MolecularWeight: 315.25936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)N2C(=O)C=C(N2)OC(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)N2C(=O)C=C(N2)OC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H9N3O7S/c11-5-1-2-7(21(17,18)19)6(3-5)13-9(14)4-8(12-13)20-10(15)16/h1-4,12H,11H2,(H,15,16)(H,17,18,19)