2-methyl-3-oxidanylidene-2-prop-2-ynoxy-octanenitrile oxide

Systemtic Name: 2-methyl-3-oxidanylidene-2-prop-2-ynoxy-octanenitrile oxide Openeye Name: 2-methyl-3-oxo-2-prop-2-ynoxy-octanenitrile oxide CAS Name: 2-methyl-3-oxo-2-prop-2-ynoxyoctanenitrile oxide IUPAC Name: 2-methyl-3-oxo-2-prop-2-ynoxyoctanenitrile oxide Traditional Name: 3-keto-2-methyl-2-propargyloxy-caprylonitrile oxide Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(C)(C#[N+][O-])OCC#C

Isomeric SMILES

CCCCCC(=O)C(C)(C#[N+][O-])OCC#C

InChI

InChI=1S/C12H17NO3/c1-4-6-7-8-11(14)12(3,10-13-15)16-9-5-2/h2H,4,6-9H2,1,3H3