methyl (3aS,4S,5R,7aS)-3-oxidanylidene-5-propan-2-yl-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate

Systemtic Name: methyl (3aS,4S,5R,7aS)-3-oxidanylidene-5-propan-2-yl-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Openeye Name: methyl (3aS,4S,5R,7aS)-5-isopropyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylate CAS Name: (3aS,4S,5R,7aS)-3-oxo-5-propan-2-yl-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester IUPAC Name: methyl (3aS,4S,5R,7aS)-3-oxo-5-propan-2-yl-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Traditional Name: (3aS,4S,5R,7aS)-5-isopropyl-3-keto-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester Formula: C13H18O4 MolecularWeight: 238.27962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C=CC2COC(=O)C2C1C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4/c1-7(2)9-5-4-8-6-17-13(15)10(8)11(9)12(14)16-3/h4-5,7-11H,6H2,1-3H3/t8-,9+,10+,11+/m1/s1