3-heptyl-6-[3-(4-propylcyclohexyl)propoxy]benzene-1,2-dicarbonitrile

Systemtic Name: 3-heptyl-6-[3-(4-propylcyclohexyl)propoxy]benzene-1,2-dicarbonitrile Openeye Name: 3-heptyl-6-[3-(4-propylcyclohexyl)propoxy]phthalonitrile CAS Name: 3-heptyl-6-[3-(4-propylcyclohexyl)propoxy]benzene-1,2-dicarbonitrile IUPAC Name: 3-heptyl-6-[3-(4-propylcyclohexyl)propoxy]benzene-1,2-dicarbonitrile Traditional Name: 3-heptyl-6-[3-(4-propylcyclohexyl)propoxy]phthalonitrile Formula: C27H40N2O MolecularWeight: 408.6193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(C=C1)OCCCC2CCC(CC2)CCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1=C(C(=C(C=C1)OCCCC2CCC(CC2)CCC)C#N)C#N

InChI

InChI=1S/C27H40N2O/c1-3-5-6-7-8-12-24-17-18-27(26(21-29)25(24)20-28)30-19-9-11-23-15-13-22(10-4-2)14-16-23/h17-18,22-23H,3-16,19H2,1-2H3