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icosan-9-yl docosanoate

icosan-9-yl docosanoate

Systemtic Name:icosan-9-yl docosanoate
Openeye Name:1-octyldodecyl docosanoate
CAS Name:docosanoic acid eicosan-9-yl ester
IUPAC Name:icosan-9-yl docosanoate
Traditional Name:behenic acid 1-octyldodecyl ester
Formula: C42H84O2
MolecularWeight: 621.11516
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCCCC


InChI

InChI=1S/C42H84O2/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-27-29-31-34-37-40-42(43)44-41(38-35-32-15-12-9-6-3)39-36-33-30-28-17-14-11-8-5-2/h41H,4-40H2,1-3H3


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