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

Systemtic Name: 4-(5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl)-3-methyl-benzenesulfonic acid Openeye Name: 4-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)-3-methyl-benzenesulfonic acid CAS Name: 4-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)-3-methylbenzenesulfonic acid IUPAC Name: 4-(5-carboxyoxy-3-oxo-1H-pyrazol-2-yl)-3-methylbenzenesulfonic acid Traditional Name: 4-(3-carboxyoxy-5-keto-3-pyrazolin-1-yl)-3-methyl-besylic acid Formula: C11H10N2O7S MolecularWeight: 314.2713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=O)C=C(N2)OC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=O)C=C(N2)OC(=O)O

InChI

InChI=1S/C11H10N2O7S/c1-6-4-7(21(17,18)19)2-3-8(6)13-10(14)5-9(12-13)20-11(15)16/h2-5,12H,1H3,(H,15,16)(H,17,18,19)