3-[(5-oxidanylidene-1H-pyrazol-2-yl)methyl]benzenesulfonic acid

Systemtic Name: 3-[(5-oxidanylidene-1H-pyrazol-2-yl)methyl]benzenesulfonic acid Openeye Name: 3-[(5-oxo-1H-pyrazol-2-yl)methyl]benzenesulfonic acid CAS Name: 3-[(5-oxo-1H-pyrazol-2-yl)methyl]benzenesulfonic acid IUPAC Name: 3-[(5-oxo-1H-pyrazol-2-yl)methyl]benzenesulfonic acid Traditional Name: 3-[(3-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(=C1)S(=O)(=O)O)CN2C=CC(=O)N2

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)CN2C=CC(=O)N2

InChI

InChI=1S/C10H10N2O4S/c13-10-4-5-12(11-10)7-8-2-1-3-9(6-8)17(14,15)16/h1-6H,7H2,(H,11,13)(H,14,15,16)