methyl (2S,3R)-2-[3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-6-propan-2-yloxy-2,3-dihydrochromene-3-carboxylate

Systemtic Name: methyl (2S,3R)-2-[3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-6-propan-2-yloxy-2,3-dihydrochromene-3-carboxylate Openeye Name: methyl (2S,3R)-2-(3,4-dihydroxyphenyl)-6-isopropoxy-4-oxo-chromane-3-carboxylate CAS Name: (2S,3R)-2-(3,4-dihydroxyphenyl)-4-oxo-6-propan-2-yloxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-2-(3,4-dihydroxyphenyl)-4-oxo-6-propan-2-yloxy-2,3-dihydrochromene-3-carboxylate Traditional Name: (2S,3R)-2-(3,4-dihydroxyphenyl)-6-isopropoxy-4-keto-chroman-3-carboxylic acid methyl ester Formula: C20H20O7 MolecularWeight: 372.3686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)OC(C(C2=O)C(=O)OC)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)O[C@@H]([C@H](C2=O)C(=O)OC)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C20H20O7/c1-10(2)26-12-5-7-16-13(9-12)18(23)17(20(24)25-3)19(27-16)11-4-6-14(21)15(22)8-11/h4-10,17,19,21-22H,1-3H3/t17-,19+/m0/s1