4-oxidanylidene-4-phenyl-2-(phenylmethyl)butanethioic S-acid

Systemtic Name: 4-oxidanylidene-4-phenyl-2-(phenylmethyl)butanethioic S-acid Openeye Name: 2-benzyl-4-oxo-4-phenyl-butanethioic S-acid CAS Name: 4-oxo-4-phenyl-2-(phenylmethyl)butanethioic S-acid IUPAC Name: 2-benzyl-4-oxo-4-phenylbutanethioic S-acid Traditional Name: 2-benzyl-4-keto-4-phenyl-thiobutyric acid Formula: C17H16O2S MolecularWeight: 284.37274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O2S/c18-16(14-9-5-2-6-10-14)12-15(17(19)20)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,20)