4-(3-cyano-2-oxidanylidene-pyridin-1-yl)benzenesulfonic acid

Systemtic Name: 4-(3-cyano-2-oxidanylidene-pyridin-1-yl)benzenesulfonic acid Openeye Name: 4-(3-cyano-2-oxo-1-pyridyl)benzenesulfonic acid CAS Name: 4-(3-cyano-2-oxo-1-pyridinyl)benzenesulfonic acid IUPAC Name: 4-(3-cyano-2-oxopyridin-1-yl)benzenesulfonic acid Traditional Name: 4-(3-cyano-2-keto-1-pyridyl)besylic acid Formula: C12H8N2O4S MolecularWeight: 276.26792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)C(=C1)C#N)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CN(C(=O)C(=C1)C#N)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H8N2O4S/c13-8-9-2-1-7-14(12(9)15)10-3-5-11(6-4-10)19(16,17)18/h1-7H,(H,16,17,18)