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

Systemtic Name: [(2S)-3-(2-bromanylethanoylamino)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [(2S)-3-[(2-bromoacetyl)amino]-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [(2S)-3-[(2-bromo-1-oxoethyl)amino]-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-3-[(2-bromoacetyl)amino]-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [(2S)-3-[(2-bromoacetyl)amino]-2-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C41H74BrNO5 MolecularWeight: 740.93396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CNC(=O)CBr)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CNC(=O)CBr)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C41H74BrNO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(45)47-37-38(36-43-39(44)35-42)48-41(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38H,3-16,21-37H2,1-2H3,(H,43,44)/b19-17+,20-18+/t38-/m0/s1