dodecyl (E)-2,2,3,3,4,4,5-heptadodecyloctadec-9-enoate

Systemtic Name: dodecyl (E)-2,2,3,3,4,4,5-heptadodecyloctadec-9-enoate Openeye Name: dodecyl (E)-2,2,3,3,4,4,5-heptadodecyloctadec-9-enoate CAS Name: (E)-2,2,3,3,4,4,5-heptadodecyl-9-octadecenoic acid dodecyl ester IUPAC Name: dodecyl (E)-2,2,3,3,4,4,5-heptadodecyloctadec-9-enoate Traditional Name: (E)-2,2,3,3,4,4,5-heptalauryloctadec-9-enoic acid lauryl ester Formula: C114H226O2 MolecularWeight: 1629.01304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C114H226O2/c1-10-19-28-37-46-55-64-66-75-84-93-102-110(101-92-83-74-65-56-47-38-29-20-11-2)112(103-94-85-76-67-57-48-39-30-21-12-3,104-95-86-77-68-58-49-40-31-22-13-4)114(107-98-89-80-71-61-52-43-34-25-16-7,108-99-90-81-72-62-53-44-35-26-17-8)113(105-96-87-78-69-59-50-41-32-23-14-5,106-97-88-79-70-60-51-42-33-24-15-6)111(115)116-109-100-91-82-73-63-54-45-36-27-18-9/h66,75,110H,10-65,67-74,76-109H2,1-9H3/b75-66+