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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1COC(OC1C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCC1COC(OC1C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H25NO2/c1-3-4-5-6-7-17-13-20-18(21-14(17)2)16-10-8-15(12-19)9-11-16/h8-11,14,17-18H,3-7,13H2,1-2H3