3-(4-butylphenyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-butylphenyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butylphenyl)-6-(4-propylphenyl)phthalonitrile CAS Name: 3-(4-butylphenyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butylphenyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-butylphenyl)-6-(4-propylphenyl)phthalonitrile Formula: C27H26N2 MolecularWeight: 378.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCC)C#N)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCC)C#N)C#N

InChI

InChI=1S/C27H26N2/c1-3-5-7-21-10-14-23(15-11-21)25-17-16-24(26(18-28)27(25)19-29)22-12-8-20(6-4-2)9-13-22/h8-17H,3-7H2,1-2H3