3-[(3-oxidanylidenepyrazol-4-yl)methyl]benzenesulfonic acid

Systemtic Name: 3-[(3-oxidanylidenepyrazol-4-yl)methyl]benzenesulfonic acid Openeye Name: 3-[(3-oxopyrazol-4-yl)methyl]benzenesulfonic acid CAS Name: 3-[(3-oxo-4-pyrazolyl)methyl]benzenesulfonic acid IUPAC Name: 3-[(3-oxopyrazol-4-yl)methyl]benzenesulfonic acid Traditional Name: 3-[(3-ketopyrazol-4-yl)methyl]besylic acid Formula: C10H8N2O4S MolecularWeight: 252.24652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)CC2=CN=NC2=O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)CC2=CN=NC2=O

InChI

InChI=1S/C10H8N2O4S/c13-10-8(6-11-12-10)4-7-2-1-3-9(5-7)17(14,15)16/h1-3,5-6H,4H2,(H,14,15,16)