ethyl (3aS,4R,7aR)-3-methylidene-3a-oxidanyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-4-carboxylate

Systemtic Name: ethyl (3aS,4R,7aR)-3-methylidene-3a-oxidanyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-4-carboxylate Openeye Name: ethyl (3aS,4R,7aR)-3a-hydroxy-3-methylene-5,6,7,7a-tetrahydro-4H-benzofuran-4-carboxylate CAS Name: (3aS,4R,7aR)-3a-hydroxy-3-methylene-5,6,7,7a-tetrahydro-4H-benzofuran-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,4R,7aR)-3a-hydroxy-3-methylidene-5,6,7,7a-tetrahydro-4H-1-benzofuran-4-carboxylate Traditional Name: (3aS,4R,7aR)-3a-hydroxy-3-methylene-5,6,7,7a-tetrahydro-4H-benzofuran-4-carboxylic acid ethyl ester Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC2C1(C(=C)CO2)O

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[C@@H]2[C@]1(C(=C)CO2)O

InChI

InChI=1S/C12H18O4/c1-3-15-11(13)9-5-4-6-10-12(9,14)8(2)7-16-10/h9-10,14H,2-7H2,1H3/t9-,10+,12+/m0/s1