3-(4-bromophenyl)sulfanyl-3-methyl-butanoic acid

Systemtic Name: 3-(4-bromophenyl)sulfanyl-3-methyl-butanoic acid Openeye Name: 3-(4-bromophenyl)sulfanyl-3-methyl-butanoic acid CAS Name: 3-[(4-bromophenyl)thio]-3-methylbutanoic acid IUPAC Name: 3-(4-bromophenyl)sulfanyl-3-methylbutanoic acid Traditional Name: 3-[(4-bromophenyl)thio]-3-methyl-butyric acid Formula: C11H13BrO2S MolecularWeight: 289.18872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13BrO2S/c1-11(2,7-10(13)14)15-9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3,(H,13,14)