[(2S,3R)-2-(3,4-diacetyloxyphenyl)-7-methoxy-5-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-3-yl] ethanoate

Systemtic Name: [(2S,3R)-2-(3,4-diacetyloxyphenyl)-7-methoxy-5-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-3-yl] ethanoate Openeye Name: [(2S,3R)-2-(3,4-diacetoxyphenyl)-5-hydroxy-7-methoxy-4-oxo-chroman-3-yl] acetate CAS Name: acetic acid [(2S,3R)-2-(3,4-diacetyloxyphenyl)-5-hydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2S,3R)-2-(3,4-diacetyloxyphenyl)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [(2S,3R)-2-(3,4-diacetoxyphenyl)-5-hydroxy-4-keto-7-methoxy-chroman-3-yl] ester Formula: C22H20O10 MolecularWeight: 444.3882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC2=CC(=CC(=C2C1=O)O)OC)C3=CC(=C(C=C3)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](OC2=CC(=CC(=C2C1=O)O)OC)C3=CC(=C(C=C3)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H20O10/c1-10(23)29-16-6-5-13(7-17(16)30-11(2)24)21-22(31-12(3)25)20(27)19-15(26)8-14(28-4)9-18(19)32-21/h5-9,21-22,26H,1-4H3/t21-,22-/m0/s1