dimethyl (3R,3aS)-3-methyl-5-oxidanylidene-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate

Systemtic Name: dimethyl (3R,3aS)-3-methyl-5-oxidanylidene-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Openeye Name: dimethyl (3R,3aS)-3-methyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate CAS Name: (3R,3aS)-3-methyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3R,3aS)-3-methyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Traditional Name: (3R,3aS)-5-keto-3-methyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid dimethyl ester Formula: C13H16O5 MolecularWeight: 252.26314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(=O)C=C2CC1(C(=O)OC)C(=O)OC

Isomeric SMILES

C[C@@H]1[C@@H]2CC(=O)C=C2CC1(C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H16O5/c1-7-10-5-9(14)4-8(10)6-13(7,11(15)17-2)12(16)18-3/h4,7,10H,5-6H2,1-3H3/t7-,10+/m1/s1