8-methylsulfanyl-6-(phenylmethylsulfanyl)octanoic acid

Systemtic Name: 8-methylsulfanyl-6-(phenylmethylsulfanyl)octanoic acid Openeye Name: 6-benzylsulfanyl-8-methylsulfanyl-octanoic acid CAS Name: 8-(methylthio)-6-(phenylmethylthio)octanoic acid IUPAC Name: 6-benzylsulfanyl-8-methylsulfanyloctanoic acid Traditional Name: 6-(benzylthio)-8-(methylthio)caprylic acid Formula: C16H24O2S2 MolecularWeight: 312.49056

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CCCCC(=O)O)SCC1=CC=CC=C1

Isomeric SMILES

CSCCC(CCCCC(=O)O)SCC1=CC=CC=C1

InChI

InChI=1S/C16H24O2S2/c1-19-12-11-15(9-5-6-10-16(17)18)20-13-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,17,18)