2,2-dimethyl-7-(2-methyloctan-2-yl)-5-oxidanyl-3,4-dihydrochromene-4-carbonitrile

Systemtic Name: 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-oxidanyl-3,4-dihydrochromene-4-carbonitrile Openeye Name: 7-(1,1-dimethylheptyl)-5-hydroxy-2,2-dimethyl-chromane-4-carbonitrile CAS Name: 5-hydroxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-carbonitrile IUPAC Name: 5-hydroxy-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydrochromene-4-carbonitrile Traditional Name: 7-(1,1-dimethylheptyl)-5-hydroxy-2,2-dimethyl-chroman-4-carbonitrile Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)C#N)C(=C1)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)C#N)C(=C1)O

InChI

InChI=1S/C21H31NO2/c1-6-7-8-9-10-20(2,3)16-11-17(23)19-15(14-22)13-21(4,5)24-18(19)12-16/h11-12,15,23H,6-10,13H2,1-5H3