[1-[(E)-octadec-9-enoyl]oxy-1-(3-oxidanylhexan-3-ylamino)propan-2-yl] (E)-octadec-9-enoate

Systemtic Name: [1-[(E)-octadec-9-enoyl]oxy-1-(3-oxidanylhexan-3-ylamino)propan-2-yl] (E)-octadec-9-enoate Openeye Name: [2-[(1-ethyl-1-hydroxy-butyl)amino]-1-methyl-2-[(E)-octadec-9-enoyl]oxy-ethyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [1-(3-hydroxyhexan-3-ylamino)-1-[(E)-1-oxooctadec-9-enoxy]propan-2-yl] ester IUPAC Name: [1-(3-hydroxyhexan-3-ylamino)-1-[(E)-octadec-9-enoyl]oxypropan-2-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-[(1-ethyl-1-hydroxy-butyl)amino]-1-methyl-2-[(E)-octadec-9-enoyl]oxy-ethyl] ester Formula: C45H85NO5 MolecularWeight: 720.1601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C)C(NC(CC)(CCC)O)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(C)C(NC(CC)(CCC)O)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C45H85NO5/c1-6-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42(47)50-41(5)44(46-45(49,9-4)40-8-3)51-43(48)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-7-2/h22-25,41,44,46,49H,6-21,26-40H2,1-5H3/b24-22+,25-23+