4-[bis[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]methyl]benzenecarbonitrile

Systemtic Name: 4-[bis[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]methyl]benzenecarbonitrile Openeye Name: 4-[bis(4,4-dimethyl-2,6-dioxo-cyclohexyl)methyl]benzonitrile CAS Name: 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzonitrile IUPAC Name: 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzonitrile Traditional Name: 4-[bis(2,6-diketo-4,4-dimethyl-cyclohexyl)methyl]benzonitrile Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C24H27NO4/c1-23(2)9-16(26)21(17(27)10-23)20(15-7-5-14(13-25)6-8-15)22-18(28)11-24(3,4)12-19(22)29/h5-8,20-22H,9-12H2,1-4H3