4-[4-(5-heptyl-1,4-dioxan-2-yl)phenyl]-1-hexyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(5-heptyl-1,4-dioxan-2-yl)phenyl]-1-hexyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(5-heptyl-1,4-dioxan-2-yl)phenyl]-1-hexyl-cyclohexanecarbonitrile CAS Name: 4-[4-(5-heptyl-1,4-dioxan-2-yl)phenyl]-1-hexyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(5-heptyl-1,4-dioxan-2-yl)phenyl]-1-hexylcyclohexane-1-carbonitrile Traditional Name: 4-[4-(5-heptyl-1,4-dioxan-2-yl)phenyl]-1-hexyl-cyclohexanecarbonitrile Formula: C30H47NO2 MolecularWeight: 453.69968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(CO1)C2=CC=C(C=C2)C3CCC(CC3)(CCCCCC)C#N

Isomeric SMILES

CCCCCCCC1COC(CO1)C2=CC=C(C=C2)C3CCC(CC3)(CCCCCC)C#N

InChI

InChI=1S/C30H47NO2/c1-3-5-7-9-10-12-28-22-33-29(23-32-28)27-15-13-25(14-16-27)26-17-20-30(24-31,21-18-26)19-11-8-6-4-2/h13-16,26,28-29H,3-12,17-23H2,1-2H3