3-butyl-6-[4-(4-propylphenyl)phenyl]benzene-1,2-dicarbonitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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