3-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-5-oxidanylidene-cyclohexane-1-carbonitrile

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-5-oxidanylidene-cyclohexane-1-carbonitrile Openeye Name: 3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-5-oxo-cyclohexanecarbonitrile CAS Name: 3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-5-oxo-1-cyclohexanecarbonitrile IUPAC Name: 3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-5-oxocyclohexane-1-carbonitrile Traditional Name: 3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-5-keto-cyclohexanecarbonitrile Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CC(=O)C2)C#N)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CC(=O)C2)C#N)O

InChI

InChI=1S/C22H31NO2/c1-4-5-6-7-10-22(2,3)18-8-9-20(21(25)14-18)17-11-16(15-23)12-19(24)13-17/h8-9,14,16-17,25H,4-7,10-13H2,1-3H3