2-methyl-4-oxidanylidene-4-phenyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-methyl-4-oxidanylidene-4-phenyl-3-sulfanyl-butanoic acid Openeye Name: 2-methyl-4-oxo-4-phenyl-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-2-methyl-4-oxo-4-phenylbutanoic acid IUPAC Name: 2-methyl-4-oxo-4-phenyl-3-sulfanylbutanoic acid Traditional Name: 4-keto-3-mercapto-2-methyl-4-phenyl-butyric acid Formula: C11H12O3S MolecularWeight: 224.27618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O3S/c1-7(11(13)14)10(15)9(12)8-5-3-2-4-6-8/h2-7,10,15H,1H3,(H,13,14)