[2-[4-(dimethylamino)butanoyloxy]-3-hexadecanoyloxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [2-[4-(dimethylamino)butanoyloxy]-3-hexadecanoyloxy-propyl] (E)-octadec-9-enoate Openeye Name: [2-[4-(dimethylamino)butanoyloxy]-3-hexadecanoyloxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-[4-(dimethylamino)-1-oxobutoxy]-3-(1-oxohexadecoxy)propyl] ester IUPAC Name: [2-[4-(dimethylamino)butanoyloxy]-3-hexadecanoyloxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-[4-(dimethylamino)butanoyloxy]-3-hexadecanoyloxy-propyl] ester Formula: C43H81NO6 MolecularWeight: 708.10634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCN(C)C

InChI

InChI=1S/C43H81NO6/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-35-42(46)49-39-40(50-43(47)36-33-37-44(3)4)38-48-41(45)34-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h19-20,40H,5-18,21-39H2,1-4H3/b20-19+