4-chloranyl-3,5,6-tris(4-methylphenoxy)benzene-1,2-dicarbonitrile

Systemtic Name: 4-chloranyl-3,5,6-tris(4-methylphenoxy)benzene-1,2-dicarbonitrile Openeye Name: 4-chloro-3,5,6-tris(4-methylphenoxy)phthalonitrile CAS Name: 4-chloro-3,5,6-tris(4-methylphenoxy)benzene-1,2-dicarbonitrile IUPAC Name: 4-chloro-3,5,6-tris(4-methylphenoxy)benzene-1,2-dicarbonitrile Traditional Name: 4-chloro-3,5,6-tris(4-methylphenoxy)phthalonitrile Formula: C29H21ClN2O3 MolecularWeight: 480.94164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C(=C(C(=C2C#N)C#N)OC3=CC=C(C=C3)C)Cl)OC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C(=C(C(=C2C#N)C#N)OC3=CC=C(C=C3)C)Cl)OC4=CC=C(C=C4)C

InChI

InChI=1S/C29H21ClN2O3/c1-18-4-10-21(11-5-18)33-27-24(16-31)25(17-32)28(34-22-12-6-19(2)7-13-22)29(26(27)30)35-23-14-8-20(3)9-15-23/h4-15H,1-3H3