dioctadecyl 2-[1,3-dioctadecoxy-1,3-bis(oxidanylidene)propan-2-yl]sulfanylpropanedioate

Systemtic Name: dioctadecyl 2-[1,3-dioctadecoxy-1,3-bis(oxidanylidene)propan-2-yl]sulfanylpropanedioate Openeye Name: dioctadecyl 2-(2-octadecoxy-1-octadecoxycarbonyl-2-oxo-ethyl)sulfanylpropanedioate CAS Name: 2-[(1,3-dioctadecoxy-1,3-dioxopropan-2-yl)thio]propanedioic acid dioctadecyl ester IUPAC Name: dioctadecyl 2-(1,3-dioctadecoxy-1,3-dioxopropan-2-yl)sulfanylpropanedioate Traditional Name: 2-[(2-keto-2-stearyloxy-1-stearyloxycarbonyl-ethyl)thio]malonic acid distearyl ester Formula: C78H150O8S MolecularWeight: 1248.0858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCCCCCCCCCC)SC(C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCCCCCCCCCC)SC(C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C78H150O8S/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-83-75(79)73(76(80)84-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)87-74(77(81)85-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)78(82)86-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h73-74H,5-72H2,1-4H3