1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 4-[bis(2-hydroxyethyl)amino]butanoate

Systemtic Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 4-[bis(2-hydroxyethyl)amino]butanoate Openeye Name: [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] 4-[bis(2-hydroxyethyl)amino]butanoate CAS Name: 4-[bis(2-hydroxyethyl)amino]butanoic acid 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl ester IUPAC Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl 4-[bis(2-hydroxyethyl)amino]butanoate Traditional Name: 4-[bis(2-hydroxyethyl)amino]butyric acid [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] ester Formula: C47H91NO6 MolecularWeight: 766.22854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(COCCCCCCCCC=CCCCCCCCC)OC(=O)CCCN(CCO)CCO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(OC(=O)CCCN(CCO)CCO)COCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C47H91NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42-52-44-46(54-47(51)36-35-37-48(38-40-49)39-41-50)45-53-43-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,46,49-50H,3-16,21-45H2,1-2H3/b19-17+,20-18+