[(3aR,5R,7aS)-5-methyl-3-oxidanyl-3,4,5,7a-tetrahydro-1H-2-benzofuran-3a-yl] ethanoate

Systemtic Name: [(3aR,5R,7aS)-5-methyl-3-oxidanyl-3,4,5,7a-tetrahydro-1H-2-benzofuran-3a-yl] ethanoate Openeye Name: [(3aR,5R,7aS)-3-hydroxy-5-methyl-3,4,5,7a-tetrahydro-1H-isobenzofuran-3a-yl] acetate CAS Name: acetic acid [(3aR,5R,7aS)-3-hydroxy-5-methyl-3,4,5,7a-tetrahydro-1H-isobenzofuran-3a-yl] ester IUPAC Name: [(3aR,5R,7aS)-3-hydroxy-5-methyl-3,4,5,7a-tetrahydro-1H-2-benzofuran-3a-yl] acetate Traditional Name: acetic acid [(3aR,5R,7aS)-3-hydroxy-5-methyl-3,4,5,7a-tetrahydro-1H-isobenzofuran-3a-yl] ester Formula: C11H16O4 MolecularWeight: 212.24234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2(C(COC2O)C=C1)OC(=O)C

Isomeric SMILES

C[C@@H]1C[C@]2([C@H](COC2O)C=C1)OC(=O)C

InChI

InChI=1S/C11H16O4/c1-7-3-4-9-6-14-10(13)11(9,5-7)15-8(2)12/h3-4,7,9-10,13H,5-6H2,1-2H3/t7-,9-,10?,11+/m0/s1