2,2-dimethyl-3-(phenylcarbonylsulfanyl)propanoic acid

Systemtic Name: 2,2-dimethyl-3-(phenylcarbonylsulfanyl)propanoic acid Openeye Name: 3-benzoylsulfanyl-2,2-dimethyl-propanoic acid CAS Name: 3-(benzoylthio)-2,2-dimethylpropanoic acid IUPAC Name: 3-benzoylsulfanyl-2,2-dimethylpropanoic acid Traditional Name: 3-(benzoylthio)-2,2-dimethyl-propionic acid Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(CSC(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H14O3S/c1-12(2,11(14)15)8-16-10(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,15)