3-(dioxidanyl)-3-methyl-2-methylidene-heptanenitrile

Systemtic Name: 3-(dioxidanyl)-3-methyl-2-methylidene-heptanenitrile Openeye Name: 3-hydroperoxy-3-methyl-2-methylene-heptanenitrile CAS Name: 3-hydroperoxy-3-methyl-2-methyleneheptanenitrile IUPAC Name: 3-hydroperoxy-3-methyl-2-methylideneheptanenitrile Traditional Name: 2-(1-hydroperoxy-1-methyl-pentyl)acrylonitrile Formula: C9H15NO2 MolecularWeight: 169.2209

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C(=C)C#N)OO

Isomeric SMILES

CCCCC(C)(C(=C)C#N)OO

InChI

InChI=1S/C9H15NO2/c1-4-5-6-9(3,12-11)8(2)7-10/h11H,2,4-6H2,1,3H3