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icosan-9-yl octanoate

icosan-9-yl octanoate

Systemtic Name:icosan-9-yl octanoate
Openeye Name:1-octyldodecyl octanoate
CAS Name:octanoic acid eicosan-9-yl ester
IUPAC Name:icosan-9-yl octanoate
Traditional Name:caprylic acid 1-octyldodecyl ester
Formula: C28H56O2
MolecularWeight: 424.74304
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCC


Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCC


InChI

InChI=1S/C28H56O2/c1-4-7-10-13-15-16-17-20-22-25-27(24-21-19-14-11-8-5-2)30-28(29)26-23-18-12-9-6-3/h27H,4-26H2,1-3H3


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