(4R,4aS,8aR)-2,2,6-trimethyl-4-oxidanyl-7-oxidanylidene-3,4,8,8a-tetrahydrochromene-4a-carbonitrile

Systemtic Name: (4R,4aS,8aR)-2,2,6-trimethyl-4-oxidanyl-7-oxidanylidene-3,4,8,8a-tetrahydrochromene-4a-carbonitrile Openeye Name: (4R,4aS,8aR)-4-hydroxy-2,2,6-trimethyl-7-oxo-3,4,8,8a-tetrahydrochromene-4a-carbonitrile CAS Name: (4R,4aS,8aR)-4-hydroxy-2,2,6-trimethyl-7-oxo-3,4,8,8a-tetrahydro-1-benzopyran-4a-carbonitrile IUPAC Name: (4R,4aS,8aR)-4-hydroxy-2,2,6-trimethyl-7-oxo-3,4,8,8a-tetrahydrochromene-4a-carbonitrile Traditional Name: (4R,4aS,8aR)-4-hydroxy-7-keto-2,2,6-trimethyl-3,4,8,8a-tetrahydrochromene-4a-carbonitrile Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2(C(CC1=O)OC(CC2O)(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-8-5-13(7-14)10(16)6-12(2,3)17-11(13)4-9(8)15/h5,10-11,16H,4,6H2,1-3H3/t10-,11-,13+/m1/s1