3-[2-(4-chlorophenyl)sulfanylcarbonyl-3,5-dimethyl-phenyl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[2-(4-chlorophenyl)sulfanylcarbonyl-3,5-dimethyl-phenyl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[2-(4-chlorophenyl)sulfanylcarbonyl-3,5-dimethyl-phenyl]-2,2-dimethyl-propanoic acid CAS Name: 3-[2-[[(4-chlorophenyl)thio]-oxomethyl]-3,5-dimethylphenyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[2-(4-chlorophenyl)sulfanylcarbonyl-3,5-dimethylphenyl]-2,2-dimethylpropanoic acid Traditional Name: 3-[2-[(4-chlorophenyl)thio]carbonyl-3,5-dimethyl-phenyl]-2,2-dimethyl-propionic acid Formula: C20H21ClO3S MolecularWeight: 376.89694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CC(C)(C)C(=O)O)C(=O)SC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CC(C)(C)C(=O)O)C(=O)SC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C20H21ClO3S/c1-12-9-13(2)17(14(10-12)11-20(3,4)19(23)24)18(22)25-16-7-5-15(21)6-8-16/h5-10H,11H2,1-4H3,(H,23,24)