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

Systemtic Name: 3-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-2-oxidanyl-5-sulfo-benzoic acid Openeye Name: 2-hydroxy-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)-5-sulfo-benzoic acid CAS Name: 2-hydroxy-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)-5-sulfobenzoic acid IUPAC Name: 2-hydroxy-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)-5-sulfobenzoic acid Traditional Name: 2-hydroxy-3-(5-keto-3-methyl-2-pyrazolin-1-yl)-5-sulfo-benzoic acid Formula: C11H10N2O7S MolecularWeight: 314.2713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=C(C(=CC(=C2)S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

CC1=NN(C(=O)C1)C2=C(C(=CC(=C2)S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C11H10N2O7S/c1-5-2-9(14)13(12-5)8-4-6(21(18,19)20)3-7(10(8)15)11(16)17/h3-4,15H,2H2,1H3,(H,16,17)(H,18,19,20)