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

Systemtic Name: [2-hexadecoxy-3-[(E)-octadec-2-enoyl]oxy-propyl] (E)-octadec-2-enoate Openeye Name: [2-hexadecoxy-3-[(E)-octadec-2-enoyl]oxy-propyl] (E)-octadec-2-enoate CAS Name: (E)-2-octadecenoic acid [2-hexadecoxy-3-[(E)-1-oxooctadec-2-enoxy]propyl] ester IUPAC Name: [2-hexadecoxy-3-[(E)-octadec-2-enoyl]oxypropyl] (E)-octadec-2-enoate Traditional Name: (E)-octadec-2-enoic acid [2-cetyloxy-3-[(E)-octadec-2-enoyl]oxy-propyl] ester Formula: C55H104O5 MolecularWeight: 845.41126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(COC(=O)C=CCCCCCCCCCCCCCCC)COC(=O)C=CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(COC(=O)/C=C/CCCCCCCCCCCCCCC)COC(=O)/C=C/CCCCCCCCCCCCCCC

InChI

InChI=1S/C55H104O5/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-54(56)59-51-53(58-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)52-60-55(57)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h45-46,48-49,53H,4-44,47,50-52H2,1-3H3/b48-45+,49-46+