[(E)-6-aminocarbonyl-5-[(E)-octadec-9-enoyl]oxy-docos-13-en-3-yl] (E)-octadec-9-enoate

Systemtic Name: [(E)-6-aminocarbonyl-5-[(E)-octadec-9-enoyl]oxy-docos-13-en-3-yl] (E)-octadec-9-enoate Openeye Name: [(E)-4-carbamoyl-1-ethyl-3-[(E)-octadec-9-enoyl]oxy-icos-11-enyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [(E)-6-carbamoyl-5-[(E)-1-oxooctadec-9-enoxy]docos-13-en-3-yl] ester IUPAC Name: [(E)-6-carbamoyl-5-[(E)-octadec-9-enoyl]oxydocos-13-en-3-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [(E)-4-carbamoyl-1-ethyl-3-[(E)-octadec-9-enoyl]oxy-eicos-11-enyl] ester Formula: C59H109NO5 MolecularWeight: 912.50046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(CC)CC(C(CCCCCCC=CCCCCCCCC)C(=O)N)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(CC)CC(C(CCCCCC/C=C/CCCCCCCC)C(=O)N)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C59H109NO5/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-57(61)64-54(8-4)53-56(55(59(60)63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3)65-58(62)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2/h27-32,54-56H,5-26,33-53H2,1-4H3,(H2,60,63)/b30-27+,31-28+,32-29+