4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-3-sulfo-benzoic acid

Systemtic Name: 4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-3-sulfo-benzoic acid Openeye Name: 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-sulfo-benzoic acid CAS Name: 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-sulfobenzoic acid IUPAC Name: 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-sulfobenzoic acid Traditional Name: 4-(5-keto-3-methyl-3-pyrazolin-1-yl)-3-sulfo-benzoic acid Formula: C11H10N2O6S MolecularWeight: 298.2719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)N(N1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H10N2O6S/c1-6-4-10(14)13(12-6)8-3-2-7(11(15)16)5-9(8)20(17,18)19/h2-5,12H,1H3,(H,15,16)(H,17,18,19)