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2-hexadecylicosyl octanoate

2-hexadecylicosyl octanoate

Systemtic Name:2-hexadecylicosyl octanoate
Openeye Name:2-hexadecylicosyl octanoate
CAS Name:octanoic acid 2-hexadecyleicosyl ester
IUPAC Name:2-hexadecylicosyl octanoate
Traditional Name:caprylic acid 2-cetyleicosyl ester
Formula: C44H88O2
MolecularWeight: 649.16832
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC


InChI

InChI=1S/C44H88O2/c1-4-7-10-13-15-17-19-21-23-24-26-28-30-32-35-37-40-43(42-46-44(45)41-38-33-12-9-6-3)39-36-34-31-29-27-25-22-20-18-16-14-11-8-5-2/h43H,4-42H2,1-3H3


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