2-methyl-3-oxidanylidene-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-methyl-3-oxidanylidene-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-methyl-3-oxo-propanoic acid CAS Name: 2-methyl-3-oxo-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-methyl-3-oxopropanoic acid Traditional Name: 3-(benzylthio)-3-keto-2-methyl-propionic acid Formula: C11H12O3S MolecularWeight: 224.27618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C(=O)SCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)O)C(=O)SCC1=CC=CC=C1

InChI

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