(3aS,7aR)-3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-6-carboxylic acid

Systemtic Name: (3aS,7aR)-3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-6-carboxylic acid Openeye Name: (3aS,7aR)-3-oxo-3a,4,5,6,7,7a-hexahydrobenzofuran-6-carboxylic acid CAS Name: (3aS,7aR)-3-oxo-3a,4,5,6,7,7a-hexahydrobenzofuran-6-carboxylic acid IUPAC Name: (3aS,7aR)-3-oxo-3a,4,5,6,7,7a-hexahydro-1-benzofuran-6-carboxylic acid Traditional Name: (3aS,7aR)-3-keto-3a,4,5,6,7,7a-hexahydrobenzofuran-6-carboxylic acid Formula: C9H12O4 MolecularWeight: 184.18918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CC1C(=O)O)OCC2=O

Isomeric SMILES

C1CC(C[C@@H]2[C@H]1C(=O)CO2)C(=O)O

InChI

InChI=1S/C9H12O4/c10-7-4-13-8-3-5(9(11)12)1-2-6(7)8/h5-6,8H,1-4H2,(H,11,12)/t5?,6-,8-/m1/s1