methyl (2S,3S)-3-oxidanyl-2-(2-oxidanylpropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

Systemtic Name: methyl (2S,3S)-3-oxidanyl-2-(2-oxidanylpropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: methyl (2S,3S)-3-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrobenzofuran-5-carboxylate CAS Name: (2S,3S)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: (2S,3S)-3-hydroxy-2-(1-hydroxy-1-methyl-ethyl)coumaran-5-carboxylic acid methyl ester Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O5/c1-13(2,16)11-10(14)8-6-7(12(15)17-3)4-5-9(8)18-11/h4-6,10-11,14,16H,1-3H3/t10-,11-/m0/s1