[2-(2-bromoethylcarbamoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [2-(2-bromoethylcarbamoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [2-(2-bromoethylcarbamoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-[(2-bromoethylamino)-oxomethoxy]-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [2-(2-bromoethylcarbamoyloxy)-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-(2-bromoethylcarbamoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C42H76BrNO6 MolecularWeight: 770.95994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)NCCBr

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)NCCBr)COC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H76BrNO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(45)48-37-39(50-42(47)44-36-35-43)38-49-41(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38H2,1-2H3,(H,44,47)/b19-17+,20-18+