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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO2/c1-3-4-5-6-7-9-14-23-19-28-26(29-20(23)2)25-17-21(18-27)15-16-24(25)22-12-10-8-11-13-22/h8,10-13,15-17,20,23,26H,3-7,9,14,19H2,1-2H3