3-[2-(4-bromophenyl)sulfanylethoxy]benzoic acid

Systemtic Name: 3-[2-(4-bromophenyl)sulfanylethoxy]benzoic acid Openeye Name: 3-[2-(4-bromophenyl)sulfanylethoxy]benzoic acid CAS Name: 3-[2-[(4-bromophenyl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-(4-bromophenyl)sulfanylethoxy]benzoic acid Traditional Name: 3-[2-[(4-bromophenyl)thio]ethoxy]benzoic acid Formula: C15H13BrO3S MolecularWeight: 353.23092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCSC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCCSC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C15H13BrO3S/c16-12-4-6-14(7-5-12)20-9-8-19-13-3-1-2-11(10-13)15(17)18/h1-7,10H,8-9H2,(H,17,18)