5-(4-decoxyphenyl)-2-octan-2-yloxy-benzenecarbonitrile

Systemtic Name: 5-(4-decoxyphenyl)-2-octan-2-yloxy-benzenecarbonitrile Openeye Name: 5-(4-decoxyphenyl)-2-(1-methylheptoxy)benzonitrile CAS Name: 5-(4-decoxyphenyl)-2-octan-2-yloxybenzonitrile IUPAC Name: 5-(4-decoxyphenyl)-2-octan-2-yloxybenzonitrile Traditional Name: 5-(4-decoxyphenyl)-2-(1-methylheptoxy)benzonitrile Formula: C31H45NO2 MolecularWeight: 463.6945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(C)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(C)CCCCCC)C#N

InChI

InChI=1S/C31H45NO2/c1-4-6-8-10-11-12-13-15-23-33-30-20-17-27(18-21-30)28-19-22-31(29(24-28)25-32)34-26(3)16-14-9-7-5-2/h17-22,24,26H,4-16,23H2,1-3H3