4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)sulfanylbenzoic acid

Systemtic Name: 4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)sulfanylbenzoic acid Openeye Name: 4-(2-hydroxy-2-oxo-1-phenyl-ethyl)sulfanylbenzoic acid CAS Name: 4-[(2-hydroxy-2-oxo-1-phenylethyl)thio]benzoic acid IUPAC Name: 4-(2-hydroxy-2-oxo-1-phenylethyl)sulfanylbenzoic acid Traditional Name: 4-[(2-hydroxy-2-keto-1-phenyl-ethyl)thio]benzoic acid Formula: C15H12O4S MolecularWeight: 288.31838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12O4S/c16-14(17)11-6-8-12(9-7-11)20-13(15(18)19)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)(H,18,19)