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

Systemtic Name: 3,6-bis(4-butylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3,6-bis(4-butylphenyl)phthalonitrile CAS Name: 3,6-bis(4-butylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3,6-bis(4-butylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3,6-bis(4-butylphenyl)phthalonitrile Formula: C28H28N2 MolecularWeight: 392.53532

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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)CCCC)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2/c1-3-5-7-21-9-13-23(14-10-21)25-17-18-26(28(20-30)27(25)19-29)24-15-11-22(12-16-24)8-6-4-2/h9-18H,3-8H2,1-2H3