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tetratriacontan-17-yl docosanoate

tetratriacontan-17-yl docosanoate

Systemtic Name:tetratriacontan-17-yl docosanoate
Openeye Name:1-hexadecyloctadecyl docosanoate
CAS Name:docosanoic acid tetratriacontan-17-yl ester
IUPAC Name:tetratriacontan-17-yl docosanoate
Traditional Name:behenic acid 1-cetyloctadecyl ester
Formula: C56H112O2
MolecularWeight: 817.48728
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC


InChI

InChI=1S/C56H112O2/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-36-39-42-45-48-51-54-56(57)58-55(52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3


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