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

Systemtic Name: 4-(2-heptyl-2-methyl-1,3-dioxan-5-yl)benzenecarbonitrile Openeye Name: 4-(2-heptyl-2-methyl-1,3-dioxan-5-yl)benzonitrile CAS Name: 4-(2-heptyl-2-methyl-1,3-dioxan-5-yl)benzonitrile IUPAC Name: 4-(2-heptyl-2-methyl-1,3-dioxan-5-yl)benzonitrile Traditional Name: 4-(2-heptyl-2-methyl-1,3-dioxan-5-yl)benzonitrile Formula: C19H27NO2 MolecularWeight: 301.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(OCC(CO1)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCCCCCCC1(OCC(CO1)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C19H27NO2/c1-3-4-5-6-7-12-19(2)21-14-18(15-22-19)17-10-8-16(13-20)9-11-17/h8-11,18H,3-7,12,14-15H2,1-2H3