5-oxidanylidene-1-[(4-sulfophenyl)methyl]-4H-pyrazole-3-carboxylic acid

Systemtic Name: 5-oxidanylidene-1-[(4-sulfophenyl)methyl]-4H-pyrazole-3-carboxylic acid Openeye Name: 5-oxo-1-[(4-sulfophenyl)methyl]-4H-pyrazole-3-carboxylic acid CAS Name: 5-oxo-1-[(4-sulfophenyl)methyl]-4H-pyrazole-3-carboxylic acid IUPAC Name: 5-oxo-1-[(4-sulfophenyl)methyl]-4H-pyrazole-3-carboxylic acid Traditional Name: 5-keto-1-(4-sulfobenzyl)-2-pyrazoline-3-carboxylic acid Formula: C11H10N2O6S MolecularWeight: 298.2719

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1C(=NN(C1=O)CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C11H10N2O6S/c14-10-5-9(11(15)16)12-13(10)6-7-1-3-8(4-2-7)20(17,18)19/h1-4H,5-6H2,(H,15,16)(H,17,18,19)