2,2-dimethyl-4-oxidanylidene-4-phenyl-butanethioic S-acid

Systemtic Name: 2,2-dimethyl-4-oxidanylidene-4-phenyl-butanethioic S-acid Openeye Name: 2,2-dimethyl-4-oxo-4-phenyl-butanethioic S-acid CAS Name: 2,2-dimethyl-4-oxo-4-phenylbutanethioic S-acid IUPAC Name: 2,2-dimethyl-4-oxo-4-phenylbutanethioic S-acid Traditional Name: 4-keto-2,2-dimethyl-4-phenyl-thiobutyric acid Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O2S/c1-12(2,11(14)15)8-10(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,15)