1,3-bis(2-methylundecan-2-ylsulfanyl)propan-2-yl 3-(2-methylundecan-2-ylsulfanyl)propanoate

Systemtic Name: 1,3-bis(2-methylundecan-2-ylsulfanyl)propan-2-yl 3-(2-methylundecan-2-ylsulfanyl)propanoate Openeye Name: [2-(1,1-dimethyldecylsulfanyl)-1-(1,1-dimethyldecylsulfanylmethyl)ethyl] 3-(1,1-dimethyldecylsulfanyl)propanoate CAS Name: 3-(2-methylundecan-2-ylthio)propanoic acid 1,3-bis(2-methylundecan-2-ylthio)propan-2-yl ester IUPAC Name: 1,3-bis(2-methylundecan-2-ylsulfanyl)propan-2-yl 3-(2-methylundecan-2-ylsulfanyl)propanoate Traditional Name: 3-(1,1-dimethyldecylthio)propionic acid [2-(1,1-dimethyldecylthio)-1-[(1,1-dimethyldecylthio)methyl]ethyl] ester Formula: C42H84O2S3 MolecularWeight: 717.31016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C)SCCC(=O)OC(CSC(C)(C)CCCCCCCCC)CSC(C)(C)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(C)(C)SCCC(=O)OC(CSC(C)(C)CCCCCCCCC)CSC(C)(C)CCCCCCCCC

InChI

InChI=1S/C42H84O2S3/c1-10-13-16-19-22-25-28-32-40(4,5)45-35-31-39(43)44-38(36-46-41(6,7)33-29-26-23-20-17-14-11-2)37-47-42(8,9)34-30-27-24-21-18-15-12-3/h38H,10-37H2,1-9H3