(phenylmethylsulfanyl) 2-[dodecylsulfanyl-(phenylmethylsulfanyl)methyl]pentanoate

Systemtic Name: (phenylmethylsulfanyl) 2-[dodecylsulfanyl-(phenylmethylsulfanyl)methyl]pentanoate Openeye Name: benzylsulfanyl 2-[benzylsulfanyl(dodecylsulfanyl)methyl]pentanoate CAS Name: 2-[(dodecylthio)-(phenylmethylthio)methyl]pentanoic acid (phenylmethylthio) ester IUPAC Name: benzylsulfanyl 2-[benzylsulfanyl(dodecylsulfanyl)methyl]pentanoate Traditional Name: 2-[(benzylthio)-(laurylthio)methyl]valeric acid (benzylthio) ester Formula: C32H48O2S3 MolecularWeight: 560.91732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(C(CCC)C(=O)OSCC1=CC=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCSC(C(CCC)C(=O)OSCC1=CC=CC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C32H48O2S3/c1-3-5-6-7-8-9-10-11-12-19-25-35-32(36-26-28-21-15-13-16-22-28)30(20-4-2)31(33)34-37-27-29-23-17-14-18-24-29/h13-18,21-24,30,32H,3-12,19-20,25-27H2,1-2H3