2-methyl-3-oxidanylidene-3-phenyl-2-(sulfanylmethyl)propanoic acid

Systemtic Name: 2-methyl-3-oxidanylidene-3-phenyl-2-(sulfanylmethyl)propanoic acid Openeye Name: 2-methyl-3-oxo-3-phenyl-2-(sulfanylmethyl)propanoic acid CAS Name: 2-(mercaptomethyl)-2-methyl-3-oxo-3-phenylpropanoic acid IUPAC Name: 2-methyl-3-oxo-3-phenyl-2-(sulfanylmethyl)propanoic acid Traditional Name: 3-keto-2-(mercaptomethyl)-2-methyl-3-phenyl-propionic acid Formula: C11H12O3S MolecularWeight: 224.27618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)(C(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CS)(C(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C11H12O3S/c1-11(7-15,10(13)14)9(12)8-5-3-2-4-6-8/h2-6,15H,7H2,1H3,(H,13,14)