dodecyl (E)-2,2,3,3,4-pentadodecyloctadec-9-enoate

Systemtic Name: dodecyl (E)-2,2,3,3,4-pentadodecyloctadec-9-enoate Openeye Name: dodecyl (E)-2,2,3,3,4-pentadodecyloctadec-9-enoate CAS Name: (E)-2,2,3,3,4-pentadodecyl-9-octadecenoic acid dodecyl ester IUPAC Name: dodecyl (E)-2,2,3,3,4-pentadodecyloctadec-9-enoate Traditional Name: (E)-2,2,3,3,4-pentalauryloctadec-9-enoic acid lauryl ester Formula: C90H178O2 MolecularWeight: 1292.37512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCC=CCCCCCCCC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC(CCCC/C=C/CCCCCCCC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC

InChI

InChI=1S/C90H178O2/c1-8-15-22-29-36-43-50-51-53-60-67-74-81-87(80-73-66-59-52-44-37-30-23-16-9-2)89(82-75-68-61-54-45-38-31-24-17-10-3,83-76-69-62-55-46-39-32-25-18-11-4)90(84-77-70-63-56-47-40-33-26-19-12-5,85-78-71-64-57-48-41-34-27-20-13-6)88(91)92-86-79-72-65-58-49-42-35-28-21-14-7/h51,53,87H,8-50,52,54-86H2,1-7H3/b53-51+