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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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