8-[oxidanyl(phenyl)methyl]sulfanyl-6-(phenylmethylsulfanyl)octanoic acid

Systemtic Name: 8-[oxidanyl(phenyl)methyl]sulfanyl-6-(phenylmethylsulfanyl)octanoic acid Openeye Name: 6-benzylsulfanyl-8-[hydroxy(phenyl)methyl]sulfanyl-octanoic acid CAS Name: 8-[[hydroxy(phenyl)methyl]thio]-6-(phenylmethylthio)octanoic acid IUPAC Name: 6-benzylsulfanyl-8-[hydroxy(phenyl)methyl]sulfanyloctanoic acid Traditional Name: 6-(benzylthio)-8-[[hydroxy(phenyl)methyl]thio]caprylic acid Formula: C22H28O3S2 MolecularWeight: 404.58592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(CCCCC(=O)O)CCSC(C2=CC=CC=C2)O

Isomeric SMILES

C1=CC=C(C=C1)CSC(CCCCC(=O)O)CCSC(C2=CC=CC=C2)O

InChI

InChI=1S/C22H28O3S2/c23-21(24)14-8-7-13-20(27-17-18-9-3-1-4-10-18)15-16-26-22(25)19-11-5-2-6-12-19/h1-6,9-12,20,22,25H,7-8,13-17H2,(H,23,24)