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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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