2,2,2-tris(3-dodecyl-6-oxidanylidene-1,3-oxathian-3-yl)ethyl 3-dodecylsulfanylpropanoate

Systemtic Name: 2,2,2-tris(3-dodecyl-6-oxidanylidene-1,3-oxathian-3-yl)ethyl 3-dodecylsulfanylpropanoate Openeye Name: 2,2,2-tris(3-dodecyl-6-oxo-1,3-oxathian-3-yl)ethyl 3-dodecylsulfanylpropanoate CAS Name: 3-(dodecylthio)propanoic acid 2,2,2-tris(3-dodecyl-6-oxo-1,3-oxathian-3-yl)ethyl ester IUPAC Name: 2,2,2-tris(3-dodecyl-6-oxo-1,3-oxathian-3-yl)ethyl 3-dodecylsulfanylpropanoate Traditional Name: 3-(laurylthio)propionic acid 2,2,2-tris(6-keto-3-lauryl-1,3-oxathian-3-yl)ethyl ester Formula: C65H124O8S4 MolecularWeight: 1161.93526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCC(=O)OCC(S1(CCC(=O)OC1)CCCCCCCCCCCC)(S2(CCC(=O)OC2)CCCCCCCCCCCC)S3(CCC(=O)OC3)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSCCC(=O)OCC(S1(CCC(=O)OC1)CCCCCCCCCCCC)(S2(CCC(=O)OC2)CCCCCCCCCCCC)S3(CCC(=O)OC3)CCCCCCCCCCCC

InChI

InChI=1S/C65H124O8S4/c1-5-9-13-17-21-25-29-33-37-41-49-74-50-45-61(66)70-57-65(75(54-46-62(67)71-58-75)51-42-38-34-30-26-22-18-14-10-6-2,76(55-47-63(68)72-59-76)52-43-39-35-31-27-23-19-15-11-7-3)77(56-48-64(69)73-60-77)53-44-40-36-32-28-24-20-16-12-8-4/h5-60H2,1-4H3