4-(4-cyano-5-oxidanylidene-3-phenyl-2H-pyrrol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(4-cyano-5-oxidanylidene-3-phenyl-2H-pyrrol-1-yl)benzenesulfonic acid Openeye Name: 4-(4-cyano-5-oxo-3-phenyl-2H-pyrrol-1-yl)benzenesulfonic acid CAS Name: 4-(4-cyano-5-oxo-3-phenyl-2H-pyrrol-1-yl)benzenesulfonic acid IUPAC Name: 4-(4-cyano-5-oxo-3-phenyl-2H-pyrrol-1-yl)benzenesulfonic acid Traditional Name: 4-(3-cyano-2-keto-4-phenyl-3-pyrrolin-1-yl)besylic acid Formula: C17H12N2O4S MolecularWeight: 340.35318

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C(=O)N1C2=CC=C(C=C2)S(=O)(=O)O)C#N)C3=CC=CC=C3

Isomeric SMILES

C1C(=C(C(=O)N1C2=CC=C(C=C2)S(=O)(=O)O)C#N)C3=CC=CC=C3

InChI

InChI=1S/C17H12N2O4S/c18-10-15-16(12-4-2-1-3-5-12)11-19(17(15)20)13-6-8-14(9-7-13)24(21,22)23/h1-9H,11H2,(H,21,22,23)