ethyl (3S,3aR)-3-methoxy-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate

Systemtic Name: ethyl (3S,3aR)-3-methoxy-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate Openeye Name: ethyl (3S,3aR)-3-methoxy-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylate CAS Name: (3S,3aR)-3-methoxy-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,3aR)-3-methoxy-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate Traditional Name: (3S,3aR)-3-methoxy-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylic acid ethyl ester Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(CCC1)C(CO2)OC

Isomeric SMILES

CCOC(=O)C1=C2[C@H](CCC1)[C@@H](CO2)OC

InChI

InChI=1S/C12H18O4/c1-3-15-12(13)9-6-4-5-8-10(14-2)7-16-11(8)9/h8,10H,3-7H2,1-2H3/t8-,10-/m1/s1