(4-oxidanyl-2-oxidanylidene-3-phenylsulfanyl-but-3-enyl) benzoate

Systemtic Name: (4-oxidanyl-2-oxidanylidene-3-phenylsulfanyl-but-3-enyl) benzoate Openeye Name: (4-hydroxy-2-oxo-3-phenylsulfanyl-but-3-enyl) benzoate CAS Name: benzoic acid [4-hydroxy-2-oxo-3-(phenylthio)but-3-enyl] ester IUPAC Name: (4-hydroxy-2-oxo-3-phenylsulfanylbut-3-enyl) benzoate Traditional Name: benzoic acid [4-hydroxy-2-keto-3-(phenylthio)but-3-enyl] ester Formula: C17H14O4S MolecularWeight: 314.35566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(=O)C(=CO)SC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(=O)C(=CO)SC2=CC=CC=C2

InChI

InChI=1S/C17H14O4S/c18-11-16(22-14-9-5-2-6-10-14)15(19)12-21-17(20)13-7-3-1-4-8-13/h1-11,18H,12H2