4-[2,2,8,8-tetramethyl-3,7-bis(oxidanylidene)nonan-5-yl]benzenecarbonitrile

Systemtic Name: 4-[2,2,8,8-tetramethyl-3,7-bis(oxidanylidene)nonan-5-yl]benzenecarbonitrile Openeye Name: 4-[1-(3,3-dimethyl-2-oxo-butyl)-4,4-dimethyl-3-oxo-pentyl]benzonitrile CAS Name: 4-(2,2,8,8-tetramethyl-3,7-dioxononan-5-yl)benzonitrile IUPAC Name: 4-(2,2,8,8-tetramethyl-3,7-dioxononan-5-yl)benzonitrile Traditional Name: 4-[3-keto-1-(2-keto-3,3-dimethyl-butyl)-4,4-dimethyl-pentyl]benzonitrile Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(CC(=O)C(C)(C)C)C1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)(C)C(=O)CC(CC(=O)C(C)(C)C)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C20H27NO2/c1-19(2,3)17(22)11-16(12-18(23)20(4,5)6)15-9-7-14(13-21)8-10-15/h7-10,16H,11-12H2,1-6H3