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

Systemtic Name: ethyl (2S,3aR,7aS)-2-ethenyl-7a-oxidanyl-2,3,4,5,6,7-hexahydro-1-benzofuran-3a-carboxylate Openeye Name: ethyl (2S,3aR,7aS)-7a-hydroxy-2-vinyl-2,3,4,5,6,7-hexahydrobenzofuran-3a-carboxylate CAS Name: (2S,3aR,7aS)-2-ethenyl-7a-hydroxy-2,3,4,5,6,7-hexahydrobenzofuran-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3aR,7aS)-2-ethenyl-7a-hydroxy-2,3,4,5,6,7-hexahydro-1-benzofuran-3a-carboxylate Traditional Name: (2S,3aR,7aS)-7a-hydroxy-2-vinyl-2,3,4,5,6,7-hexahydrobenzofuran-3a-carboxylic acid ethyl ester Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCCCC1(OC(C2)C=C)O

Isomeric SMILES

CCOC(=O)[C@@]12CCCC[C@@]1(O[C@@H](C2)C=C)O

InChI

InChI=1S/C13H20O4/c1-3-10-9-12(11(14)16-4-2)7-5-6-8-13(12,15)17-10/h3,10,15H,1,4-9H2,2H3/t10-,12+,13+/m1/s1