6,8-bis(phenylcarbonylsulfanyl)octanoic acid

Systemtic Name: 6,8-bis(phenylcarbonylsulfanyl)octanoic acid Openeye Name: 6,8-bis(benzoylsulfanyl)octanoic acid CAS Name: 6,8-bis(benzoylthio)octanoic acid IUPAC Name: 6,8-bis(benzoylsulfanyl)octanoic acid Traditional Name: 6,8-bis(benzoylthio)caprylic acid Formula: C22H24O4S2 MolecularWeight: 416.55356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCC(CCCCC(=O)O)SC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCCC(CCCCC(=O)O)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H24O4S2/c23-20(24)14-8-7-13-19(28-22(26)18-11-5-2-6-12-18)15-16-27-21(25)17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,23,24)