triacontan-13-yl 2-(1-oxidanylidene-1-triacontan-13-yloxy-propan-2-yl)sulfanylpropanoate

Systemtic Name: triacontan-13-yl 2-(1-oxidanylidene-1-triacontan-13-yloxy-propan-2-yl)sulfanylpropanoate Openeye Name: 1-dodecyloctadecyl 2-[2-(1-dodecyloctadecoxy)-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[(1-oxo-1-triacontan-13-yloxypropan-2-yl)thio]propanoic acid triacontan-13-yl ester IUPAC Name: triacontan-13-yl 2-(1-oxo-1-triacontan-13-yloxypropan-2-yl)sulfanylpropanoate Traditional Name: 2-[[2-keto-2-(1-lauryloctadecoxy)-1-methyl-ethyl]thio]propionic acid 1-lauryloctadecyl ester Formula: C66H130O4S MolecularWeight: 1019.801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)OC(=O)C(C)SC(C)C(=O)OC(CCCCCCCCCCCC)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)OC(=O)C(C)SC(C)C(=O)OC(CCCCCCCCCCCC)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C66H130O4S/c1-7-11-15-19-23-27-31-33-35-37-39-43-47-51-55-59-63(57-53-49-45-41-29-25-21-17-13-9-3)69-65(67)61(5)71-62(6)66(68)70-64(58-54-50-46-42-30-26-22-18-14-10-4)60-56-52-48-44-40-38-36-34-32-28-24-20-16-12-8-2/h61-64H,7-60H2,1-6H3