3-[(2-bromophenyl)sulfanylmethyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCC2=CC=CC(=C2)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)SCC2=CC=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C14H11BrO2S/c15-12-6-1-2-7-13(12)18-9-10-4-3-5-11(8-10)14(16)17/h1-8H,9H2,(H,16,17)