1-heptyl-4-(5-heptyl-1,3-dioxan-2-yl)cyclohexane-1-carbonitrile

Systemtic Name: 1-heptyl-4-(5-heptyl-1,3-dioxan-2-yl)cyclohexane-1-carbonitrile Openeye Name: 1-heptyl-4-(5-heptyl-1,3-dioxan-2-yl)cyclohexanecarbonitrile CAS Name: 1-heptyl-4-(5-heptyl-1,3-dioxan-2-yl)-1-cyclohexanecarbonitrile IUPAC Name: 1-heptyl-4-(5-heptyl-1,3-dioxan-2-yl)cyclohexane-1-carbonitrile Traditional Name: 1-heptyl-4-(5-heptyl-1,3-dioxan-2-yl)cyclohexanecarbonitrile Formula: C25H45NO2 MolecularWeight: 391.6303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1)C2CCC(CC2)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1COC(OC1)C2CCC(CC2)(CCCCCCC)C#N

InChI

InChI=1S/C25H45NO2/c1-3-5-7-9-11-13-22-19-27-24(28-20-22)23-14-17-25(21-26,18-15-23)16-12-10-8-6-4-2/h22-24H,3-20H2,1-2H3