3-(4-bromophenyl)sulfanylheptanoic acid

Systemtic Name: 3-(4-bromophenyl)sulfanylheptanoic acid Openeye Name: 3-(4-bromophenyl)sulfanylheptanoic acid CAS Name: 3-[(4-bromophenyl)thio]heptanoic acid IUPAC Name: 3-(4-bromophenyl)sulfanylheptanoic acid Traditional Name: 3-[(4-bromophenyl)thio]enanthic acid Formula: C13H17BrO2S MolecularWeight: 317.24188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrO2S/c1-2-3-4-12(9-13(15)16)17-11-7-5-10(14)6-8-11/h5-8,12H,2-4,9H2,1H3,(H,15,16)