4,5-bis(4-pentylphenoxy)benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-bis(4-pentylphenoxy)benzene-1,2-dicarbonitrile Openeye Name: 4,5-bis(4-pentylphenoxy)phthalonitrile CAS Name: 4,5-bis(4-pentylphenoxy)benzene-1,2-dicarbonitrile IUPAC Name: 4,5-bis(4-pentylphenoxy)benzene-1,2-dicarbonitrile Traditional Name: 4,5-bis(4-amylphenoxy)phthalonitrile Formula: C30H32N2O2 MolecularWeight: 452.58728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)OC3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)OC3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C30H32N2O2/c1-3-5-7-9-23-11-15-27(16-12-23)33-29-19-25(21-31)26(22-32)20-30(29)34-28-17-13-24(14-18-28)10-8-6-4-2/h11-20H,3-10H2,1-2H3