3-ethoxy-6-[(1-hexyl-4-bicyclo[2.2.2]octanyl)sulfanyloxy]benzene-1,2-dicarbonitrile

Systemtic Name: 3-ethoxy-6-[(1-hexyl-4-bicyclo[2.2.2]octanyl)sulfanyloxy]benzene-1,2-dicarbonitrile Openeye Name: 3-ethoxy-6-[(1-hexyl-4-bicyclo[2.2.2]octanyl)sulfanyloxy]phthalonitrile CAS Name: 1-hexyl-4-bicyclo[2.2.2]octanesulfenic acid (2,3-dicyano-4-ethoxyphenyl) ester IUPAC Name: 3-ethoxy-6-[(1-hexyl-4-bicyclo[2.2.2]octanyl)sulfanyloxy]benzene-1,2-dicarbonitrile Traditional Name: 3-ethoxy-6-[(1-hexyl-4-bicyclo[2.2.2]octanyl)thio]oxy-phthalonitrile Formula: C24H32N2O2S MolecularWeight: 412.58808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC12CCC(CC1)(CC2)SOC3=C(C(=C(C=C3)OCC)C#N)C#N

Isomeric SMILES

CCCCCCC12CCC(CC1)(CC2)SOC3=C(C(=C(C=C3)OCC)C#N)C#N

InChI

InChI=1S/C24H32N2O2S/c1-3-5-6-7-10-23-11-14-24(15-12-23,16-13-23)29-28-22-9-8-21(27-4-2)19(17-25)20(22)18-26/h8-9H,3-7,10-16H2,1-2H3