methyl (3R)-3-[(3aR,6aS)-4-oxidanylidene-1,2,3,5,6,6a-hexahydropentalen-3a-yl]butanoate

Systemtic Name: methyl (3R)-3-[(3aR,6aS)-4-oxidanylidene-1,2,3,5,6,6a-hexahydropentalen-3a-yl]butanoate Openeye Name: methyl (3R)-3-[(3aR,6aS)-4-oxo-1,2,3,5,6,6a-hexahydropentalen-3a-yl]butanoate CAS Name: (3R)-3-[(3aR,6aS)-4-oxo-1,2,3,5,6,6a-hexahydropentalen-3a-yl]butanoic acid methyl ester IUPAC Name: methyl (3R)-3-[(3aR,6aS)-4-oxo-1,2,3,5,6,6a-hexahydropentalen-3a-yl]butanoate Traditional Name: (3R)-3-[(3aR,6aS)-4-keto-1,2,3,5,6,6a-hexahydropentalen-3a-yl]butyric acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C12CCCC1CCC2=O

Isomeric SMILES

C[C@H](CC(=O)OC)[C@]12CCC[C@H]1CCC2=O

InChI

InChI=1S/C13H20O3/c1-9(8-12(15)16-2)13-7-3-4-10(13)5-6-11(13)14/h9-10H,3-8H2,1-2H3/t9-,10+,13-/m1/s1