2-methyl-4-oxidanylidene-4-phenyl-butanethioic S-acid

Systemtic Name: 2-methyl-4-oxidanylidene-4-phenyl-butanethioic S-acid Openeye Name: 2-methyl-4-oxo-4-phenyl-butanethioic S-acid CAS Name: 2-methyl-4-oxo-4-phenylbutanethioic S-acid IUPAC Name: 2-methyl-4-oxo-4-phenylbutanethioic S-acid Traditional Name: 4-keto-2-methyl-4-phenyl-thiobutyric acid Formula: C11H12O2S MolecularWeight: 208.27678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O2S/c1-8(11(13)14)7-10(12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14)