(3aS,7aR)-7a-(3,3-dimethoxypropyl)-3,3a,4,7-tetrahydro-2-benzofuran-1-one

Systemtic Name: (3aS,7aR)-7a-(3,3-dimethoxypropyl)-3,3a,4,7-tetrahydro-2-benzofuran-1-one Openeye Name: (3aS,7aR)-7a-(3,3-dimethoxypropyl)-3,3a,4,7-tetrahydroisobenzofuran-1-one CAS Name: (3aS,7aR)-7a-(3,3-dimethoxypropyl)-3,3a,4,7-tetrahydroisobenzofuran-1-one IUPAC Name: (3aS,7aR)-7a-(3,3-dimethoxypropyl)-3,3a,4,7-tetrahydro-2-benzofuran-1-one Traditional Name: (3aS,7aR)-7a-(3,3-dimethoxypropyl)-3,3a,4,7-tetrahydroisobenzofuran-1-one Formula: C13H20O4 MolecularWeight: 240.2955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(CCC12CC=CCC1COC2=O)OC

Isomeric SMILES

COC(CC[C@@]12CC=CC[C@@H]1COC2=O)OC

InChI

InChI=1S/C13H20O4/c1-15-11(16-2)6-8-13-7-4-3-5-10(13)9-17-12(13)14/h3-4,10-11H,5-9H2,1-2H3/t10-,13+/m1/s1