methyl (3aR,6aS)-1,5,5-trimethyl-3-oxidanylidene-3a,4,6,6a-tetrahydropentalene-2-carboxylate

Systemtic Name: methyl (3aR,6aS)-1,5,5-trimethyl-3-oxidanylidene-3a,4,6,6a-tetrahydropentalene-2-carboxylate Openeye Name: methyl (3aR,6aS)-1,5,5-trimethyl-3-oxo-3a,4,6,6a-tetrahydropentalene-2-carboxylate CAS Name: (3aR,6aS)-1,5,5-trimethyl-3-oxo-3a,4,6,6a-tetrahydropentalene-2-carboxylic acid methyl ester IUPAC Name: methyl (3aR,6aS)-1,5,5-trimethyl-3-oxo-3a,4,6,6a-tetrahydropentalene-2-carboxylate Traditional Name: (3aS,6aR)-1-keto-3,5,5-trimethyl-3a,4,6,6a-tetrahydropentalene-2-carboxylic acid methyl ester Formula: C13H18O3 MolecularWeight: 222.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2C1CC(C2)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)[C@H]2[C@@H]1CC(C2)(C)C)C(=O)OC

InChI

InChI=1S/C13H18O3/c1-7-8-5-13(2,3)6-9(8)11(14)10(7)12(15)16-4/h8-9H,5-6H2,1-4H3/t8-,9-/m1/s1