[2-(6-bromanylhexanoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [2-(6-bromanylhexanoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [2-(6-bromohexanoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-(6-bromo-1-oxohexoxy)-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [2-(6-bromohexanoyloxy)-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-(6-bromohexanoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C45H81BrO6 MolecularWeight: 798.02504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H81BrO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-36-43(47)50-40-42(52-45(49)38-34-31-35-39-46)41-51-44(48)37-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,42H,3-16,21-41H2,1-2H3/b19-17+,20-18+