3-oxidanylidene-2-phenyl-butanethioic S-acid

Systemtic Name: 3-oxidanylidene-2-phenyl-butanethioic S-acid Openeye Name: 3-oxo-2-phenyl-butanethioic S-acid CAS Name: 3-oxo-2-phenylbutanethioic S-acid IUPAC Name: 3-oxo-2-phenylbutanethioic S-acid Traditional Name: 3-keto-2-phenyl-thiobutyric acid Formula: C10H10O2S MolecularWeight: 194.2502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O2S/c1-7(11)9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)