3-(3-chlorophenyl)sulfanyl-3-methyl-butanoic acid

Systemtic Name: 3-(3-chlorophenyl)sulfanyl-3-methyl-butanoic acid Openeye Name: 3-(3-chlorophenyl)sulfanyl-3-methyl-butanoic acid CAS Name: 3-[(3-chlorophenyl)thio]-3-methylbutanoic acid IUPAC Name: 3-(3-chlorophenyl)sulfanyl-3-methylbutanoic acid Traditional Name: 3-[(3-chlorophenyl)thio]-3-methyl-butyric acid Formula: C11H13ClO2S MolecularWeight: 244.73772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)SC1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C)(CC(=O)O)SC1=CC(=CC=C1)Cl

InChI

InChI=1S/C11H13ClO2S/c1-11(2,7-10(13)14)15-9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3,(H,13,14)