6,8-bis[(phenylmethyl)disulfanyl]octanoic acid

Systemtic Name: 6,8-bis[(phenylmethyl)disulfanyl]octanoic acid Openeye Name: 6,8-bis(benzyldisulfanyl)octanoic acid CAS Name: 6,8-bis[(phenylmethyl)disulfanyl]octanoic acid IUPAC Name: 6,8-bis(benzyldisulfanyl)octanoic acid Traditional Name: 6,8-bis(benzyldisulfanyl)caprylic acid Formula: C22H28O2S4 MolecularWeight: 452.71652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSSCCC(CCCCC(=O)O)SSCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CSSCCC(CCCCC(=O)O)SSCC2=CC=CC=C2

InChI

InChI=1S/C22H28O2S4/c23-22(24)14-8-7-13-21(28-27-18-20-11-5-2-6-12-20)15-16-25-26-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)