2-(4-methyl-2,5-disulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-(4-methyl-2,5-disulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(4-methyl-2,5-disulfo-phenyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(4-methyl-2,5-disulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(4-methyl-2,5-disulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 5-keto-1-(4-methyl-2,5-disulfo-phenyl)-3-pyrazoline-3-carboxylic acid Formula: C11H10N2O9S2 MolecularWeight: 378.3351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)N2C(=O)C=C(N2)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)N2C(=O)C=C(N2)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H10N2O9S2/c1-5-2-9(24(20,21)22)7(4-8(5)23(17,18)19)13-10(14)3-6(12-13)11(15)16/h2-4,12H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)