[3-(dimethylamino)-2-octadec-4-ynoyloxy-propyl] octadec-4-ynoate

Systemtic Name: [3-(dimethylamino)-2-octadec-4-ynoyloxy-propyl] octadec-4-ynoate Openeye Name: [3-(dimethylamino)-2-octadec-4-ynoyloxy-propyl] octadec-4-ynoate CAS Name: 4-octadecynoic acid [3-(dimethylamino)-2-(1-oxooctadec-4-ynoxy)propyl] ester IUPAC Name: [3-(dimethylamino)-2-octadec-4-ynoyloxypropyl] octadec-4-ynoate Traditional Name: octadec-4-ynoic acid [3-(dimethylamino)-2-octadec-4-ynoyloxy-propyl] ester Formula: C41H73NO4 MolecularWeight: 644.02262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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,5-28,33-38H2,1-4H3