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

Systemtic Name: 3-heptyl-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-heptyl-6-(4-pentoxyphenyl)phthalonitrile CAS Name: 3-heptyl-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-heptyl-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amoxyphenyl)-6-heptyl-phthalonitrile Formula: C26H32N2O MolecularWeight: 388.54508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCCCCC)C#N)C#N

InChI

InChI=1S/C26H32N2O/c1-3-5-7-8-9-11-21-14-17-24(26(20-28)25(21)19-27)22-12-15-23(16-13-22)29-18-10-6-4-2/h12-17H,3-11,18H2,1-2H3