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icosan-9-yl 2-octyldodecanoate

icosan-9-yl 2-octyldodecanoate

Systemtic Name:icosan-9-yl 2-octyldodecanoate
Openeye Name:1-octyldodecyl 2-octyldodecanoate
CAS Name:2-octyldodecanoic acid eicosan-9-yl ester
IUPAC Name:icosan-9-yl 2-octyldodecanoate
Traditional Name:2-octyllauric acid 1-octyldodecyl ester
Formula: C40H80O2
MolecularWeight: 593.062
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)OC(=O)C(CCCCCCCC)CCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCC)OC(=O)C(CCCCCCCC)CCCCCCCCCC


InChI

InChI=1S/C40H80O2/c1-5-9-13-17-21-23-25-29-33-37-39(36-32-28-20-16-12-8-4)42-40(41)38(34-30-26-19-15-11-7-3)35-31-27-24-22-18-14-10-6-2/h38-39H,5-37H2,1-4H3


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