methyl (3aR,7aR)-2-(2-methoxy-2-oxidanylidene-ethyl)-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate

Systemtic Name: methyl (3aR,7aR)-2-(2-methoxy-2-oxidanylidene-ethyl)-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate Openeye Name: methyl (3aR,7aR)-2-(2-methoxy-2-oxo-ethyl)-3a,4,5,7a-tetrahydrobenzofuran-3-carboxylate CAS Name: (3aR,7aR)-2-(2-methoxy-2-oxoethyl)-3a,4,5,7a-tetrahydrobenzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aR)-2-(2-methoxy-2-oxoethyl)-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate Traditional Name: (3aR,7aR)-2-(2-keto-2-methoxy-ethyl)-3a,4,5,7a-tetrahydrobenzofuran-3-carboxylic acid methyl ester Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C2CCC=CC2O1)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C([C@H]2CCC=C[C@H]2O1)C(=O)OC

InChI

InChI=1S/C13H16O5/c1-16-11(14)7-10-12(13(15)17-2)8-5-3-4-6-9(8)18-10/h4,6,8-9H,3,5,7H2,1-2H3/t8-,9+/m0/s1