3-bromanyl-4-(4-methylphenyl)sulfanyl-benzoic acid

Systemtic Name: 3-bromanyl-4-(4-methylphenyl)sulfanyl-benzoic acid Openeye Name: 3-bromo-4-(p-tolylsulfanyl)benzoic acid CAS Name: 3-bromo-4-[(4-methylphenyl)thio]benzoic acid IUPAC Name: 3-bromo-4-(4-methylphenyl)sulfanylbenzoic acid Traditional Name: 3-bromo-4-(p-tolylthio)benzoic acid Formula: C14H11BrO2S MolecularWeight: 323.20494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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