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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N2C(=O)CC(=N2)C(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1N2C(=O)CC(=N2)C(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H10N2O9S2/c1-5-2-8(23(17,18)19)9(24(20,21)22)4-7(5)13-10(14)3-6(12-13)11(15)16/h2,4H,3H2,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)