7-(4-bromophenyl)-2-sulfanyl-heptanoic acid

Systemtic Name: 7-(4-bromophenyl)-2-sulfanyl-heptanoic acid Openeye Name: 7-(4-bromophenyl)-2-sulfanyl-heptanoic acid CAS Name: 7-(4-bromophenyl)-2-mercaptoheptanoic acid IUPAC Name: 7-(4-bromophenyl)-2-sulfanylheptanoic acid Traditional Name: 7-(4-bromophenyl)-2-mercapto-enanthic acid Formula: C13H17BrO2S MolecularWeight: 317.24188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCC(C(=O)O)S)Br

Isomeric SMILES

C1=CC(=CC=C1CCCCCC(C(=O)O)S)Br

InChI

InChI=1S/C13H17BrO2S/c14-11-8-6-10(7-9-11)4-2-1-3-5-12(17)13(15)16/h6-9,12,17H,1-5H2,(H,15,16)