3-oxidanylidene-2-(phenylmethyl)-1H-pyrazole-4-sulfonic acid

Systemtic Name: 3-oxidanylidene-2-(phenylmethyl)-1H-pyrazole-4-sulfonic acid Openeye Name: 2-benzyl-3-oxo-1H-pyrazole-4-sulfonic acid CAS Name: 3-oxo-2-(phenylmethyl)-1H-pyrazole-4-sulfonic acid IUPAC Name: 2-benzyl-3-oxo-1H-pyrazole-4-sulfonic acid Traditional Name: 1-benzyl-5-keto-3-pyrazoline-4-sulfonic acid Formula: C10H10N2O4S MolecularWeight: 254.2624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=CN2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=CN2)S(=O)(=O)O

InChI

InChI=1S/C10H10N2O4S/c13-10-9(17(14,15)16)6-11-12(10)7-8-4-2-1-3-5-8/h1-6,11H,7H2,(H,14,15,16)