[2-(dimethylamino)-3-octadecanoyloxy-butyl] octadecanoate

Systemtic Name: [2-(dimethylamino)-3-octadecanoyloxy-butyl] octadecanoate Openeye Name: [2-(dimethylamino)-3-octadecanoyloxy-butyl] octadecanoate CAS Name: octadecanoic acid [2-(dimethylamino)-3-(1-oxooctadecoxy)butyl] ester IUPAC Name: [2-(dimethylamino)-3-octadecanoyloxybutyl] octadecanoate Traditional Name: stearic acid [2-(dimethylamino)-3-stearoyloxy-butyl] ester Formula: C42H83NO4 MolecularWeight: 666.11272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C(C)OC(=O)CCCCCCCCCCCCCCCCC)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C(C)OC(=O)CCCCCCCCCCCCCCCCC)N(C)C

InChI

InChI=1S/C42H83NO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-38-40(43(4)5)39(3)47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39-40H,6-38H2,1-5H3