methyl (3aS,4S,7aS)-6-ethyl-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate

Systemtic Name: methyl (3aS,4S,7aS)-6-ethyl-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Openeye Name: methyl (3aS,4S,7aS)-6-ethyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylate CAS Name: (3aS,4S,7aS)-6-ethyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester IUPAC Name: methyl (3aS,4S,7aS)-6-ethyl-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Traditional Name: (3aS,4S,7aS)-6-ethyl-3-keto-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2COC(=O)C2C(C1)C(=O)OC

Isomeric SMILES

CCC1=C[C@@H]2COC(=O)[C@@H]2[C@H](C1)C(=O)OC

InChI

InChI=1S/C12H16O4/c1-3-7-4-8-6-16-12(14)10(8)9(5-7)11(13)15-2/h4,8-10H,3,5-6H2,1-2H3/t8-,9+,10+/m1/s1