3-[4-(4-heptylphenyl)phenyl]-6-propyl-benzene-1,2-dicarbonitrile

Systemtic Name: 3-[4-(4-heptylphenyl)phenyl]-6-propyl-benzene-1,2-dicarbonitrile Openeye Name: 3-[4-(4-heptylphenyl)phenyl]-6-propyl-phthalonitrile CAS Name: 3-[4-(4-heptylphenyl)phenyl]-6-propylbenzene-1,2-dicarbonitrile IUPAC Name: 3-[4-(4-heptylphenyl)phenyl]-6-propylbenzene-1,2-dicarbonitrile Traditional Name: 3-[4-(4-heptylphenyl)phenyl]-6-propyl-phthalonitrile Formula: C30H32N2 MolecularWeight: 420.58848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CCC)C#N)C#N

InChI

InChI=1S/C30H32N2/c1-3-5-6-7-8-10-23-11-13-24(14-12-23)25-15-17-27(18-16-25)28-20-19-26(9-4-2)29(21-31)30(28)22-32/h11-20H,3-10H2,1-2H3