4-(2-oxidanylidene-2-sulfanyl-ethyl)-3-phenyl-benzoic acid

Systemtic Name: 4-(2-oxidanylidene-2-sulfanyl-ethyl)-3-phenyl-benzoic acid Openeye Name: 4-(2-oxo-2-sulfanyl-ethyl)-3-phenyl-benzoic acid CAS Name: 4-(2-mercapto-2-oxoethyl)-3-phenylbenzoic acid IUPAC Name: 4-(2-oxo-2-sulfanylethyl)-3-phenylbenzoic acid Traditional Name: 4-(2-keto-2-mercapto-ethyl)-3-phenyl-benzoic acid Formula: C15H12O3S MolecularWeight: 272.31898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12O3S/c16-14(19)9-11-6-7-12(15(17)18)8-13(11)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,19)(H,17,18)