5-oxidanylidene-2-(phenylmethyl)pyrazole-1-sulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC(=O)N2S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC(=O)N2S(=O)(=O)O

InChI

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