6,8-bis(phenylmethylsulfanyl)octanoic acid

Systemtic Name: 6,8-bis(phenylmethylsulfanyl)octanoic acid Openeye Name: 6,8-bis(benzylsulfanyl)octanoic acid CAS Name: 6,8-bis(phenylmethylthio)octanoic acid IUPAC Name: 6,8-bis(benzylsulfanyl)octanoic acid Traditional Name: 6,8-bis(benzylthio)caprylic acid Formula: C22H28O2S2 MolecularWeight: 388.58652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C22H28O2S2/c23-22(24)14-8-7-13-21(26-18-20-11-5-2-6-12-20)15-16-25-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)