[3-(1-methylimidazol-4-yl)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [3-(1-methylimidazol-4-yl)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [3-(1-methylimidazol-4-yl)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-(1-methyl-4-imidazolyl)-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [3-(1-methylimidazol-4-yl)-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-(1-methylimidazol-4-yl)-2-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C43H76N2O4 MolecularWeight: 685.07454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CC1=CN(C=N1)C)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CC1=CN(C=N1)C)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C43H76N2O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)48-38-41(36-40-37-45(3)39-44-40)49-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,37,39,41H,4-17,22-36,38H2,1-3H3/b20-18+,21-19+