2,2-bis(2-tetradecanoylsulfanylethanoyloxymethyl)butyl 2-tetradecanoylsulfanylethanoate

Systemtic Name: 2,2-bis(2-tetradecanoylsulfanylethanoyloxymethyl)butyl 2-tetradecanoylsulfanylethanoate Openeye Name: 2,2-bis[(2-tetradecanoylsulfanylacetyl)oxymethyl]butyl 2-tetradecanoylsulfanylacetate CAS Name: 2-(1-oxotetradecylthio)acetic acid 2,2-bis[[1-oxo-2-(1-oxotetradecylthio)ethoxy]methyl]butyl ester IUPAC Name: 2,2-bis[(2-tetradecanoylsulfanylacetyl)oxymethyl]butyl 2-tetradecanoylsulfanylacetate Traditional Name: 2-(tetradecanoylthio)acetic acid 2,2-bis[[2-(tetradecanoylthio)acetyl]oxymethyl]butyl ester Formula: C54H98O9S3 MolecularWeight: 987.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)SCC(=O)OCC(CC)(COC(=O)CSC(=O)CCCCCCCCCCCCC)COC(=O)CSC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)SCC(=O)OCC(CC)(COC(=O)CSC(=O)CCCCCCCCCCCCC)COC(=O)CSC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C54H98O9S3/c1-5-9-12-15-18-21-24-27-30-33-36-39-51(58)64-42-48(55)61-45-54(8-4,46-62-49(56)43-65-52(59)40-37-34-31-28-25-22-19-16-13-10-6-2)47-63-50(57)44-66-53(60)41-38-35-32-29-26-23-20-17-14-11-7-3/h5-47H2,1-4H3