4-[4-(4-methyl-5-octyl-1,3-dioxan-2-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-methyl-5-octyl-1,3-dioxan-2-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(4-methyl-5-octyl-1,3-dioxan-2-yl)phenyl]benzonitrile CAS Name: 4-[4-(4-methyl-5-octyl-1,3-dioxan-2-yl)phenyl]benzonitrile IUPAC Name: 4-[4-(4-methyl-5-octyl-1,3-dioxan-2-yl)phenyl]benzonitrile Traditional Name: 4-[4-(4-methyl-5-octyl-1,3-dioxan-2-yl)phenyl]benzonitrile Formula: C26H33NO2 MolecularWeight: 391.54572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1COC(OC1C)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCC1COC(OC1C)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H33NO2/c1-3-4-5-6-7-8-9-25-19-28-26(29-20(25)2)24-16-14-23(15-17-24)22-12-10-21(18-27)11-13-22/h10-17,20,25-26H,3-9,19H2,1-2H3