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2-icosan-9-yldocosanoate

2-icosan-9-yldocosanoate

Systemtic Name:2-icosan-9-yldocosanoate
Openeye Name:2-(1-octyldodecyl)docosanoate
CAS Name:2-eicosan-9-yldocosanoate
IUPAC Name:2-icosan-9-yldocosanoate
Traditional Name:2-(1-octyldodecyl)behenate
Formula: C42H83O2-
MolecularWeight: 620.10722
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCC)CCCCCCCCCCC)C(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCC)CCCCCCCCCCC)C(=O)[O-]


InChI

InChI=1S/C42H84O2/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-28-30-33-36-39-41(42(43)44)40(37-34-31-15-12-9-6-3)38-35-32-29-27-17-14-11-8-5-2/h40-41H,4-39H2,1-3H3,(H,43,44)/p-1


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