3-pentyl-6-[2-(4-pentylphenyl)phenyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-pentyl-6-[2-(4-pentylphenyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-pentyl-6-[2-(4-pentylphenyl)phenyl]phthalonitrile CAS Name: 3-pentyl-6-[2-(4-pentylphenyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-pentyl-6-[2-(4-pentylphenyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-[2-(4-amylphenyl)phenyl]phthalonitrile Formula: C30H32N2 MolecularWeight: 420.58848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=CC=C2C3=C(C(=C(C=C3)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=CC=C2C3=C(C(=C(C=C3)CCCCC)C#N)C#N

InChI

InChI=1S/C30H32N2/c1-3-5-7-11-23-15-17-25(18-16-23)26-13-9-10-14-27(26)28-20-19-24(12-8-6-4-2)29(21-31)30(28)22-32/h9-10,13-20H,3-8,11-12H2,1-2H3