8-(phenylmethylsulfanyl)-6-phenylsulfanyl-octanoic acid

Systemtic Name: 8-(phenylmethylsulfanyl)-6-phenylsulfanyl-octanoic acid Openeye Name: 8-benzylsulfanyl-6-phenylsulfanyl-octanoic acid CAS Name: 8-(phenylmethylthio)-6-(phenylthio)octanoic acid IUPAC Name: 8-benzylsulfanyl-6-phenylsulfanyloctanoic acid Traditional Name: 8-(benzylthio)-6-(phenylthio)caprylic acid Formula: C21H26O2S2 MolecularWeight: 374.55994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C21H26O2S2/c22-21(23)14-8-7-13-20(25-19-11-5-2-6-12-19)15-16-24-17-18-9-3-1-4-10-18/h1-6,9-12,20H,7-8,13-17H2,(H,22,23)