[3-(dimethylamino)-2-octadec-14-ynoyloxy-propyl] octadec-14-ynoate

Systemtic Name: [3-(dimethylamino)-2-octadec-14-ynoyloxy-propyl] octadec-14-ynoate Openeye Name: [3-(dimethylamino)-2-octadec-14-ynoyloxy-propyl] octadec-14-ynoate CAS Name: 14-octadecynoic acid [3-(dimethylamino)-2-(1-oxooctadec-14-ynoxy)propyl] ester IUPAC Name: [3-(dimethylamino)-2-octadec-14-ynoyloxypropyl] octadec-14-ynoate Traditional Name: octadec-14-ynoic acid [3-(dimethylamino)-2-octadec-14-ynoyloxy-propyl] ester Formula: C41H73NO4 MolecularWeight: 644.02262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCCCCCCCCCCCC(=O)OCC(CN(C)C)OC(=O)CCCCCCCCCCCCC#CCCC

Isomeric SMILES

CCCC#CCCCCCCCCCCCCC(=O)OCC(CN(C)C)OC(=O)CCCCCCCCCCCCC#CCCC

InChI

InChI=1S/C41H73NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-38-39(37-42(3)4)46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h39H,5-8,13-38H2,1-4H3