4-[4-(6-octyloxan-3-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(6-octyloxan-3-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(6-octyltetrahydropyran-3-yl)phenyl]benzonitrile CAS Name: 4-[4-(6-octyl-3-oxanyl)phenyl]benzonitrile IUPAC Name: 4-[4-(6-octyloxan-3-yl)phenyl]benzonitrile Traditional Name: 4-[4-(6-octyltetrahydropyran-3-yl)phenyl]benzonitrile Formula: C26H33NO MolecularWeight: 375.54632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CO1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCC1CCC(CO1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H33NO/c1-2-3-4-5-6-7-8-26-18-17-25(20-28-26)24-15-13-23(14-16-24)22-11-9-21(19-27)10-12-22/h9-16,25-26H,2-8,17-18,20H2,1H3