methyl 6,8-bis(phenylcarbonylsulfanyl)octanoate

Systemtic Name: methyl 6,8-bis(phenylcarbonylsulfanyl)octanoate Openeye Name: methyl 6,8-bis(benzoylsulfanyl)octanoate CAS Name: 6,8-bis(benzoylthio)octanoic acid methyl ester IUPAC Name: methyl 6,8-bis(benzoylsulfanyl)octanoate Traditional Name: 6,8-bis(benzoylthio)caprylic acid methyl ester Formula: C23H26O4S2 MolecularWeight: 430.58014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(CCSC(=O)C1=CC=CC=C1)SC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCC(CCSC(=O)C1=CC=CC=C1)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H26O4S2/c1-27-21(24)15-9-8-14-20(29-23(26)19-12-6-3-7-13-19)16-17-28-22(25)18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-17H2,1H3