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methyl 2-cyano-2-hexyl-octanoate

methyl 2-cyano-2-hexyl-octanoate

Systemtic Name:methyl 2-cyano-2-hexyl-octanoate
Openeye Name:methyl 2-cyano-2-hexyl-octanoate
CAS Name:2-cyano-2-hexyloctanoic acid methyl ester
IUPAC Name:methyl 2-cyano-2-hexyloctanoate
Traditional Name:2-cyano-2-hexyl-caprylic acid methyl ester
Formula: C16H29NO2
MolecularWeight: 267.40696
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)(C#N)C(=O)OC


Isomeric SMILES

CCCCCCC(CCCCCC)(C#N)C(=O)OC


InChI

InChI=1S/C16H29NO2/c1-4-6-8-10-12-16(14-17,15(18)19-3)13-11-9-7-5-2/h4-13H2,1-3H3


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