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

Systemtic Name: ethyl (3aS,4S,7aS)-7-methyl-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Openeye Name: ethyl (3aS,4S,7aS)-7-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylate CAS Name: (3aS,4S,7aS)-7-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,4S,7aS)-7-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Traditional Name: (3aS,4S,7aS)-3-keto-7-methyl-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid ethyl ester Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC=C(C2C1C(=O)OC2)C

Isomeric SMILES

CCOC(=O)[C@H]1CC=C([C@@H]2[C@@H]1C(=O)OC2)C

InChI

InChI=1S/C12H16O4/c1-3-15-11(13)8-5-4-7(2)9-6-16-12(14)10(8)9/h4,8-10H,3,5-6H2,1-2H3/t8-,9+,10+/m0/s1