4-(5-hexyl-5-methyl-1,3-dioxan-2-yl)benzenecarbonitrile

Systemtic Name: 4-(5-hexyl-5-methyl-1,3-dioxan-2-yl)benzenecarbonitrile Openeye Name: 4-(5-hexyl-5-methyl-1,3-dioxan-2-yl)benzonitrile CAS Name: 4-(5-hexyl-5-methyl-1,3-dioxan-2-yl)benzonitrile IUPAC Name: 4-(5-hexyl-5-methyl-1,3-dioxan-2-yl)benzonitrile Traditional Name: 4-(5-hexyl-5-methyl-1,3-dioxan-2-yl)benzonitrile Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(COC(OC1)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCCCCCC1(COC(OC1)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C18H25NO2/c1-3-4-5-6-11-18(2)13-20-17(21-14-18)16-9-7-15(12-19)8-10-16/h7-10,17H,3-6,11,13-14H2,1-2H3