6-[3-octadecanoyloxy-2-(2-oxidanyloctadecanoyloxy)propoxy]-6-oxidanylidene-hexanoate

Systemtic Name: 6-[3-octadecanoyloxy-2-(2-oxidanyloctadecanoyloxy)propoxy]-6-oxidanylidene-hexanoate Openeye Name: 6-[2-(2-hydroxyoctadecanoyloxy)-3-octadecanoyloxy-propoxy]-6-oxo-hexanoate CAS Name: 6-[2-(2-hydroxy-1-oxooctadecoxy)-3-(1-oxooctadecoxy)propoxy]-6-oxohexanoate IUPAC Name: 6-[2-(2-hydroxyoctadecanoyloxy)-3-octadecanoyloxypropoxy]-6-oxohexanoate Traditional Name: 6-[2-(2-hydroxyoctadecanoyloxy)-3-stearoyloxy-propoxy]-6-keto-hexanoate Formula: C45H83O9- MolecularWeight: 768.13512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC(=O)[O-])OC(=O)C(CCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC(=O)[O-])OC(=O)C(CCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C45H84O9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-43(49)52-38-40(39-53-44(50)37-33-32-35-42(47)48)54-45(51)41(46)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40-41,46H,3-39H2,1-2H3,(H,47,48)/p-1