methyl (6R,7aR)-6-oxidanyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-3-carboxylate

Systemtic Name: methyl (6R,7aR)-6-oxidanyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-3-carboxylate Openeye Name: methyl (6R,7aR)-6-hydroxy-2,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylate CAS Name: (6R,7aR)-6-hydroxy-2,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl (6R,7aR)-6-hydroxy-2,4,5,6,7,7a-hexahydro-1-benzofuran-3-carboxylate Traditional Name: (6R,7aR)-6-hydroxy-2,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylic acid methyl ester Formula: C10H14O4 MolecularWeight: 198.21576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCC(CC2OC1)O

Isomeric SMILES

COC(=O)C1=C2CC[C@H](C[C@H]2OC1)O

InChI

InChI=1S/C10H14O4/c1-13-10(12)8-5-14-9-4-6(11)2-3-7(8)9/h6,9,11H,2-5H2,1H3/t6-,9-/m1/s1