2-(3-oxidanylidene-1,3-diphenyl-propyl)sulfanylbenzoic acid

Systemtic Name: 2-(3-oxidanylidene-1,3-diphenyl-propyl)sulfanylbenzoic acid Openeye Name: 2-(3-oxo-1,3-diphenyl-propyl)sulfanylbenzoic acid CAS Name: 2-[(3-oxo-1,3-diphenylpropyl)thio]benzoic acid IUPAC Name: 2-(3-oxo-1,3-diphenylpropyl)sulfanylbenzoic acid Traditional Name: 2-[(3-keto-1,3-diphenyl-propyl)thio]benzoic acid Formula: C22H18O3S MolecularWeight: 362.44152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H18O3S/c23-19(16-9-3-1-4-10-16)15-21(17-11-5-2-6-12-17)26-20-14-8-7-13-18(20)22(24)25/h1-14,21H,15H2,(H,24,25)