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2-hexadecyloctadecyl octanoate

2-hexadecyloctadecyl octanoate

Systemtic Name:2-hexadecyloctadecyl octanoate
Openeye Name:2-hexadecyloctadecyl octanoate
CAS Name:octanoic acid 2-hexadecyloctadecyl ester
IUPAC Name:2-hexadecyloctadecyl octanoate
Traditional Name:caprylic acid 2-cetyloctadecyl ester
Formula: C42H84O2
MolecularWeight: 621.11516
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC


InChI

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


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