2,2-dimethyl-3-[4-(phenylcarbonyl)phenyl]sulfanyl-propanoic acid

Systemtic Name: 2,2-dimethyl-3-[4-(phenylcarbonyl)phenyl]sulfanyl-propanoic acid Openeye Name: 3-(4-benzoylphenyl)sulfanyl-2,2-dimethyl-propanoic acid CAS Name: 3-[(4-benzoylphenyl)thio]-2,2-dimethylpropanoic acid IUPAC Name: 3-(4-benzoylphenyl)sulfanyl-2,2-dimethylpropanoic acid Traditional Name: 3-[(4-benzoylphenyl)thio]-2,2-dimethyl-propionic acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(CSC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H18O3S/c1-18(2,17(20)21)12-22-15-10-8-14(9-11-15)16(19)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,21)