(4R,4aS,8aR)-2,2-dimethyl-4-oxidanyl-7-oxidanylidene-3,4,8,8a-tetrahydrochromene-4a-carbonitrile

Systemtic Name: (4R,4aS,8aR)-2,2-dimethyl-4-oxidanyl-7-oxidanylidene-3,4,8,8a-tetrahydrochromene-4a-carbonitrile Openeye Name: (4R,4aS,8aR)-4-hydroxy-2,2-dimethyl-7-oxo-3,4,8,8a-tetrahydrochromene-4a-carbonitrile CAS Name: (4R,4aS,8aR)-4-hydroxy-2,2-dimethyl-7-oxo-3,4,8,8a-tetrahydro-1-benzopyran-4a-carbonitrile IUPAC Name: (4R,4aS,8aR)-4-hydroxy-2,2-dimethyl-7-oxo-3,4,8,8a-tetrahydrochromene-4a-carbonitrile Traditional Name: (4R,4aS,8aR)-4-hydroxy-7-keto-2,2-dimethyl-3,4,8,8a-tetrahydrochromene-4a-carbonitrile Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2(C=CC(=O)CC2O1)C#N)O)C

Isomeric SMILES

CC1(C[C@H]([C@]2(C=CC(=O)C[C@H]2O1)C#N)O)C

InChI

InChI=1S/C12H15NO3/c1-11(2)6-9(15)12(7-13)4-3-8(14)5-10(12)16-11/h3-4,9-10,15H,5-6H2,1-2H3/t9-,10-,12+/m1/s1