dioctadecan-2-yl 2-[(3-octadecan-2-yloxy-2-octadecan-2-yloxycarbonyl-3-oxidanylidene-propyl)sulfanylmethyl]propanedioate

Systemtic Name: dioctadecan-2-yl 2-[(3-octadecan-2-yloxy-2-octadecan-2-yloxycarbonyl-3-oxidanylidene-propyl)sulfanylmethyl]propanedioate Openeye Name: bis(1-methylheptadecyl) 2-[[3-(1-methylheptadecoxy)-2-(1-methylheptadecoxycarbonyl)-3-oxo-propyl]sulfanylmethyl]propanedioate CAS Name: 2-[[[3-octadecan-2-yloxy-2-[octadecan-2-yloxy(oxo)methyl]-3-oxopropyl]thio]methyl]propanedioic acid dioctadecan-2-yl ester IUPAC Name: dioctadecan-2-yl 2-[(3-octadecan-2-yloxy-2-octadecan-2-yloxycarbonyl-3-oxopropyl)sulfanylmethyl]propanedioate Traditional Name: 2-[[[3-keto-3-(1-methylheptadecoxy)-2-(1-methylheptadecoxycarbonyl)propyl]thio]methyl]malonic acid bis(1-methylheptadecyl) ester Formula: C80H154O8S MolecularWeight: 1276.13896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)OC(=O)C(CSCC(C(=O)OC(C)CCCCCCCCCCCCCCCC)C(=O)OC(C)CCCCCCCCCCCCCCCC)C(=O)OC(C)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)OC(=O)C(CSCC(C(=O)OC(C)CCCCCCCCCCCCCCCC)C(=O)OC(C)CCCCCCCCCCCCCCCC)C(=O)OC(C)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C80H154O8S/c1-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-71(5)85-77(81)75(78(82)86-72(6)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-2)69-89-70-76(79(83)87-73(7)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-3)80(84)88-74(8)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-4/h71-76H,9-70H2,1-8H3