phenylsulfanyl 2-[dodecylsulfanyl(phenylsulfanyl)methyl]pentanoate

Systemtic Name: phenylsulfanyl 2-[dodecylsulfanyl(phenylsulfanyl)methyl]pentanoate Openeye Name: phenylsulfanyl 2-[dodecylsulfanyl(phenylsulfanyl)methyl]pentanoate CAS Name: 2-[(dodecylthio)-(phenylthio)methyl]pentanoic acid (phenylthio) ester IUPAC Name: phenylsulfanyl 2-[dodecylsulfanyl(phenylsulfanyl)methyl]pentanoate Traditional Name: 2-[(laurylthio)-(phenylthio)methyl]valeric acid (phenylthio) ester Formula: C30H44O2S3 MolecularWeight: 532.86416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(C(CCC)C(=O)OSC1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCSC(C(CCC)C(=O)OSC1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C30H44O2S3/c1-3-5-6-7-8-9-10-11-12-19-25-33-30(34-26-21-15-13-16-22-26)28(20-4-2)29(31)32-35-27-23-17-14-18-24-27/h13-18,21-24,28,30H,3-12,19-20,25H2,1-2H3