2-[1,4-bis(oxidanylidene)-1,4-diphenyl-butan-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1,4-bis(oxidanylidene)-1,4-diphenyl-butan-2-yl]sulfanylethanoic acid Openeye Name: 2-(1-benzoyl-3-oxo-3-phenyl-propyl)sulfanylacetic acid CAS Name: 2-[(1,4-dioxo-1,4-diphenylbutan-2-yl)thio]acetic acid IUPAC Name: 2-(1,4-dioxo-1,4-diphenylbutan-2-yl)sulfanylacetic acid Traditional Name: 2-[(1-benzoyl-3-keto-3-phenyl-propyl)thio]acetic acid Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O4S/c19-15(13-7-3-1-4-8-13)11-16(23-12-17(20)21)18(22)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,20,21)