[(2S)-2-hexadecanoyloxy-3-[2-hydroxyethyl(methyl)amino]propyl] (Z)-octadec-9-enoate

Systemtic Name: [(2S)-2-hexadecanoyloxy-3-[2-hydroxyethyl(methyl)amino]propyl] (Z)-octadec-9-enoate Openeye Name: [(2S)-2-hexadecanoyloxy-3-[2-hydroxyethyl(methyl)amino]propyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [(2S)-3-[2-hydroxyethyl(methyl)amino]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2S)-2-hexadecanoyloxy-3-[2-hydroxyethyl(methyl)amino]propyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [(2S)-2-hexadecanoyloxy-3-[2-hydroxyethyl(methyl)amino]propyl] ester Formula: C40H77NO5 MolecularWeight: 652.04308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CN(C)CCO)COC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H](CN(C)CCO)COC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C40H77NO5/c1-4-6-8-10-12-14-16-18-19-21-22-24-26-28-30-32-39(43)45-37-38(36-41(3)34-35-42)46-40(44)33-31-29-27-25-23-20-17-15-13-11-9-7-5-2/h18-19,38,42H,4-17,20-37H2,1-3H3/b19-18-/t38-/m0/s1