(3aR,6aR)-3a,6a-dimethyl-3,6-bis(oxidanyl)-1,4-dihydropentalene-2,5-dicarbonitrile

Systemtic Name: (3aR,6aR)-3a,6a-dimethyl-3,6-bis(oxidanyl)-1,4-dihydropentalene-2,5-dicarbonitrile Openeye Name: (3aR,6aR)-3,6-dihydroxy-3a,6a-dimethyl-1,4-dihydropentalene-2,5-dicarbonitrile CAS Name: (3aR,6aR)-3,6-dihydroxy-3a,6a-dimethyl-1,4-dihydropentalene-2,5-dicarbonitrile IUPAC Name: (3aR,6aR)-3,6-dihydroxy-3a,6a-dimethyl-1,4-dihydropentalene-2,5-dicarbonitrile Traditional Name: (3aR,6aR)-3,6-dihydroxy-3a,6a-dimethyl-1,4-dihydropentalene-2,5-dicarbonitrile Formula: C12H12N2O2 MolecularWeight: 216.23588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=C(C1(CC(=C2O)C#N)C)O)C#N

Isomeric SMILES

C[C@@]12CC(=C([C@@]1(CC(=C2O)C#N)C)O)C#N

InChI

InChI=1S/C12H12N2O2/c1-11-3-7(5-13)10(16)12(11,2)4-8(6-14)9(11)15/h15-16H,3-4H2,1-2H3/t11-,12-/m0/s1