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ethyl octanoate; propanenitrile

ethyl octanoate; propanenitrile

Systemtic Name:ethyl octanoate; propanenitrile
Openeye Name:ethyl octanoate; propanenitrile
CAS Name:octanoic acid ethyl ester; propanenitrile
IUPAC Name:ethyl octanoate; propanenitrile
Traditional Name:caprylic acid ethyl ester; propionitrile
Formula: C13H25NO2
MolecularWeight: 227.3431
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC.CCC#N


Isomeric SMILES

CCCCCCCC(=O)OCC.CCC#N


InChI

InChI=1S/C10H20O2.C3H5N/c1-3-5-6-7-8-9-10(11)12-4-2;1-2-3-4/h3-9H2,1-2H3;2H2,1H3


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