4-[(3-oxidanylidene-1H-pyrazol-2-yl)methyl]benzenesulfonic acid

Systemtic Name: 4-[(3-oxidanylidene-1H-pyrazol-2-yl)methyl]benzenesulfonic acid Openeye Name: 4-[(3-oxo-1H-pyrazol-2-yl)methyl]benzenesulfonic acid CAS Name: 4-[(3-oxo-1H-pyrazol-2-yl)methyl]benzenesulfonic acid IUPAC Name: 4-[(3-oxo-1H-pyrazol-2-yl)methyl]benzenesulfonic acid Traditional Name: 4-[(5-keto-3-pyrazolin-1-yl)methyl]besylic acid Formula: C10H10N2O4S MolecularWeight: 254.2624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C=CN2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C=CN2)S(=O)(=O)O

InChI

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