2-(4-bromophenyl)sulfanyloctanoic acid

Systemtic Name: 2-(4-bromophenyl)sulfanyloctanoic acid Openeye Name: 2-(4-bromophenyl)sulfanyloctanoic acid CAS Name: 2-[(4-bromophenyl)thio]octanoic acid IUPAC Name: 2-(4-bromophenyl)sulfanyloctanoic acid Traditional Name: 2-[(4-bromophenyl)thio]caprylic acid Formula: C14H19BrO2S MolecularWeight: 331.26846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrO2S/c1-2-3-4-5-6-13(14(16)17)18-12-9-7-11(15)8-10-12/h7-10,13H,2-6H2,1H3,(H,16,17)