4-[5-(4-hexylcyclohexyl)-1,3-dioxan-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(4-hexylcyclohexyl)-1,3-dioxan-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-hexylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile CAS Name: 4-[5-(4-hexylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile IUPAC Name: 4-[5-(4-hexylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile Traditional Name: 4-[5-(4-hexylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile Formula: C23H33NO2 MolecularWeight: 355.51362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2COC(OC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1CCC(CC1)C2COC(OC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H33NO2/c1-2-3-4-5-6-18-7-11-20(12-8-18)22-16-25-23(26-17-22)21-13-9-19(15-24)10-14-21/h9-10,13-14,18,20,22-23H,2-8,11-12,16-17H2,1H3