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

Systemtic Name: 4-oxidanylidene-4-phenyl-2-(phenylcarbonyl)butanethioic S-acid Openeye Name: 2-benzoyl-4-oxo-4-phenyl-butanethioic S-acid CAS Name: 2-benzoyl-4-oxo-4-phenylbutanethioic S-acid IUPAC Name: 2-benzoyl-4-oxo-4-phenylbutanethioic S-acid Traditional Name: 2-benzoyl-4-keto-4-phenyl-thiobutyric acid Formula: C17H14O3S MolecularWeight: 298.35626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14O3S/c18-15(12-7-3-1-4-8-12)11-14(17(20)21)16(19)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,20,21)