3-(4-hexoxyphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-hexoxyphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-hexoxyphenyl)-6-(4-pentylphenyl)phthalonitrile CAS Name: 3-(4-hexoxyphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-hexoxyphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amylphenyl)-6-(4-hexoxyphenyl)phthalonitrile Formula: C31H34N2O MolecularWeight: 450.61446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCCCC)C#N)C#N

InChI

InChI=1S/C31H34N2O/c1-3-5-7-9-21-34-27-17-15-26(16-18-27)29-20-19-28(30(22-32)31(29)23-33)25-13-11-24(12-14-25)10-8-6-4-2/h11-20H,3-10,21H2,1-2H3