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2-octyldodecyl docosanoate

2-octyldodecyl docosanoate

Systemtic Name:2-octyldodecyl docosanoate
Openeye Name:2-octyldodecyl docosanoate
CAS Name:docosanoic acid 2-octyldodecyl ester
IUPAC Name:2-octyldodecyl docosanoate
Traditional Name:behenic acid 2-octyldodecyl ester
Formula: C42H84O2
MolecularWeight: 621.11516
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC


InChI

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


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