ethyl (2S,3S)-3,5-dimethyl-3-oxidanyl-2H-1-benzofuran-2-carboxylate

Systemtic Name: ethyl (2S,3S)-3,5-dimethyl-3-oxidanyl-2H-1-benzofuran-2-carboxylate Openeye Name: ethyl (2S,3S)-3-hydroxy-3,5-dimethyl-2H-benzofuran-2-carboxylate CAS Name: (2S,3S)-3-hydroxy-3,5-dimethyl-2H-benzofuran-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-hydroxy-3,5-dimethyl-2H-1-benzofuran-2-carboxylate Traditional Name: (2S,3S)-3-hydroxy-3,5-dimethyl-coumaran-2-carboxylic acid ethyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(O1)C=CC(=C2)C)(C)O

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@](C2=C(O1)C=CC(=C2)C)(C)O

InChI

InChI=1S/C13H16O4/c1-4-16-12(14)11-13(3,15)9-7-8(2)5-6-10(9)17-11/h5-7,11,15H,4H2,1-3H3/t11-,13+/m1/s1