4-[bis(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[bis(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[bis(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]benzonitrile CAS Name: 4-[bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]benzonitrile IUPAC Name: 4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]benzonitrile Traditional Name: 4-[bis(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]benzonitrile Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)C#N)C3=C(CC(CC3=O)(C)C)O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)C#N)C3=C(CC(CC3=O)(C)C)O)O)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/h5-8,20,26,28H,9-12H2,1-4H3