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

Systemtic Name: 3,6-bis(4-octoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3,6-bis(4-octoxyphenyl)phthalonitrile CAS Name: 3,6-bis(4-octoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3,6-bis(4-octoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3,6-bis(4-octoxyphenyl)phthalonitrile Formula: C36H44N2O2 MolecularWeight: 536.74676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC)C#N)C#N

InChI

InChI=1S/C36H44N2O2/c1-3-5-7-9-11-13-25-39-31-19-15-29(16-20-31)33-23-24-34(36(28-38)35(33)27-37)30-17-21-32(22-18-30)40-26-14-12-10-8-6-4-2/h15-24H,3-14,25-26H2,1-2H3