3-(4-heptoxyphenyl)-6-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-heptoxyphenyl)-6-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-heptoxyphenyl)-6-(1-heptyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-(4-heptoxyphenyl)-6-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-heptoxyphenyl)-6-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-heptoxyphenyl)-6-(1-heptyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C36H48N2O MolecularWeight: 524.77912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCCCCCC)C#N)C#N

InChI

InChI=1S/C36H48N2O/c1-3-5-7-9-11-19-35-20-23-36(24-21-35,25-22-35)34-18-17-31(32(27-37)33(34)28-38)29-13-15-30(16-14-29)39-26-12-10-8-6-4-2/h13-18H,3-12,19-26H2,1-2H3