3-(5,5-dimethyl-1,3-dioxan-2-yl)benzenecarbonitrile

Systemtic Name: 3-(5,5-dimethyl-1,3-dioxan-2-yl)benzenecarbonitrile Openeye Name: 3-(5,5-dimethyl-1,3-dioxan-2-yl)benzonitrile CAS Name: 3-(5,5-dimethyl-1,3-dioxan-2-yl)benzonitrile IUPAC Name: 3-(5,5-dimethyl-1,3-dioxan-2-yl)benzonitrile Traditional Name: 3-(5,5-dimethyl-1,3-dioxan-2-yl)benzonitrile Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1(COC(OC1)C2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C13H15NO2/c1-13(2)8-15-12(16-9-13)11-5-3-4-10(6-11)7-14/h3-6,12H,8-9H2,1-2H3