6,8-bis(phenethylsulfanyl)octanoic acid

Systemtic Name: 6,8-bis(phenethylsulfanyl)octanoic acid Openeye Name: 6,8-bis(phenethylsulfanyl)octanoic acid CAS Name: 6,8-bis(phenethylthio)octanoic acid IUPAC Name: 6,8-bis(phenethylsulfanyl)octanoic acid Traditional Name: 6,8-bis(phenethylthio)caprylic acid Formula: C24H32O2S2 MolecularWeight: 416.63968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSCCC(CCCCC(=O)O)SCCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCSCCC(CCCCC(=O)O)SCCC2=CC=CC=C2

InChI

InChI=1S/C24H32O2S2/c25-24(26)14-8-7-13-23(28-20-16-22-11-5-2-6-12-22)17-19-27-18-15-21-9-3-1-4-10-21/h1-6,9-12,23H,7-8,13-20H2,(H,25,26)