4-chloranyl-5-[[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]benzene-1,2-dicarbonitrile

Systemtic Name: 4-chloranyl-5-[[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]benzene-1,2-dicarbonitrile Openeye Name: 4-chloro-5-[[2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]methyl]phthalonitrile CAS Name: 4-chloro-5-[[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]benzene-1,2-dicarbonitrile IUPAC Name: 4-chloro-5-[[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]benzene-1,2-dicarbonitrile Traditional Name: 4-chloro-5-[2-octoxy-5-(1,1,3,3-tetramethylbutyl)benzyl]phthalonitrile Formula: C31H41ClN2O MolecularWeight: 493.12304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)CC2=C(C=C(C(=C2)C#N)C#N)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)CC2=C(C=C(C(=C2)C#N)C#N)Cl

InChI

InChI=1S/C31H41ClN2O/c1-7-8-9-10-11-12-15-35-29-14-13-27(31(5,6)22-30(2,3)4)18-24(29)16-23-17-25(20-33)26(21-34)19-28(23)32/h13-14,17-19H,7-12,15-16,22H2,1-6H3