4-[4-(5-hexyl-1,4-dioxan-2-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(5-hexyl-1,4-dioxan-2-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(5-hexyl-1,4-dioxan-2-yl)phenyl]benzonitrile CAS Name: 4-[4-(5-hexyl-1,4-dioxan-2-yl)phenyl]benzonitrile IUPAC Name: 4-[4-(5-hexyl-1,4-dioxan-2-yl)phenyl]benzonitrile Traditional Name: 4-[4-(5-hexyl-1,4-dioxan-2-yl)phenyl]benzonitrile Formula: C23H27NO2 MolecularWeight: 349.46598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1COC(CO1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1COC(CO1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H27NO2/c1-2-3-4-5-6-22-16-26-23(17-25-22)21-13-11-20(12-14-21)19-9-7-18(15-24)8-10-19/h7-14,22-23H,2-6,16-17H2,1H3