3,6-bis[4-(4-methylnonyl)phenyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3,6-bis[4-(4-methylnonyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3,6-bis[4-(4-methylnonyl)phenyl]phthalonitrile CAS Name: 3,6-bis[4-(4-methylnonyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3,6-bis[4-(4-methylnonyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3,6-bis[4-(4-methylnonyl)phenyl]phthalonitrile Formula: C40H52N2 MolecularWeight: 560.85428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCCC(C)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCC(C)CCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCCC(C)CCCCC)C#N)C#N

InChI

InChI=1S/C40H52N2/c1-5-7-9-13-31(3)15-11-17-33-19-23-35(24-20-33)37-27-28-38(40(30-42)39(37)29-41)36-25-21-34(22-26-36)18-12-16-32(4)14-10-8-6-2/h19-28,31-32H,5-18H2,1-4H3