1-[1-[(E)-octadec-9-enoyl]oxyethyl-(3-oxidanylpropyl)amino]ethyl (E)-octadec-9-enoate

Systemtic Name: 1-[1-[(E)-octadec-9-enoyl]oxyethyl-(3-oxidanylpropyl)amino]ethyl (E)-octadec-9-enoate Openeye Name: 1-[3-hydroxypropyl-[1-[(E)-octadec-9-enoyl]oxyethyl]amino]ethyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 1-[3-hydroxypropyl-[1-[(E)-1-oxooctadec-9-enoxy]ethyl]amino]ethyl ester IUPAC Name: 1-[3-hydroxypropyl-[1-[(E)-octadec-9-enoyl]oxyethyl]amino]ethyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 1-[3-hydroxypropyl-[1-[(E)-octadec-9-enoyl]oxyethyl]amino]ethyl ester Formula: C43H81NO5 MolecularWeight: 692.10694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C)N(CCCO)C(C)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(N(C(OC(=O)CCCCCCC/C=C/CCCCCCCC)C)CCCO)C

InChI

InChI=1S/C43H81NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-42(46)48-40(3)44(38-35-39-45)41(4)49-43(47)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,40-41,45H,5-18,23-39H2,1-4H3/b21-19+,22-20+