3-(4-chlorophenyl)sulfanyl-3-methyl-butanoate

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-3-methyl-butanoate Openeye Name: 3-(4-chlorophenyl)sulfanyl-3-methyl-butanoate CAS Name: 3-[(4-chlorophenyl)thio]-3-methylbutanoate IUPAC Name: 3-(4-chlorophenyl)sulfanyl-3-methylbutanoate Traditional Name: 3-[(4-chlorophenyl)thio]-3-methyl-butyrate Formula: C11H12ClO2S- MolecularWeight: 243.72978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)[O-])SC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(CC(=O)[O-])SC1=CC=C(C=C1)Cl

InChI

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