3-(4-bromophenyl)sulfanyl-2-methyl-benzoic acid

Systemtic Name: 3-(4-bromophenyl)sulfanyl-2-methyl-benzoic acid Openeye Name: 3-(4-bromophenyl)sulfanyl-2-methyl-benzoic acid CAS Name: 3-[(4-bromophenyl)thio]-2-methylbenzoic acid IUPAC Name: 3-(4-bromophenyl)sulfanyl-2-methylbenzoic acid Traditional Name: 3-[(4-bromophenyl)thio]-2-methyl-benzoic acid Formula: C14H11BrO2S MolecularWeight: 323.20494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1SC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C14H11BrO2S/c1-9-12(14(16)17)3-2-4-13(9)18-11-7-5-10(15)6-8-11/h2-8H,1H3,(H,16,17)