3-hexyl-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-hexyl-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-hexyl-6-(4-pentoxyphenyl)phthalonitrile CAS Name: 3-hexyl-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-hexyl-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amoxyphenyl)-6-hexyl-phthalonitrile Formula: C25H30N2O MolecularWeight: 374.5185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCCCCC)C#N)C#N

InChI

InChI=1S/C25H30N2O/c1-3-5-7-8-10-20-13-16-23(25(19-27)24(20)18-26)21-11-14-22(15-12-21)28-17-9-6-4-2/h11-16H,3-10,17H2,1-2H3