2-[[2-(3,4-dimethoxyphenyl)-6-methoxy-5-oxidanyl-3-oxidanylidene-4H-chromen-7-yl]oxy]ethanoic acid

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)-6-methoxy-5-oxidanyl-3-oxidanylidene-4H-chromen-7-yl]oxy]ethanoic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-5-hydroxy-6-methoxy-3-oxo-chroman-7-yl]oxyacetic acid CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-5-hydroxy-6-methoxy-3-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy]acetic acid IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)-5-hydroxy-6-methoxy-3-oxo-4H-chromen-7-yl]oxy]acetic acid Traditional Name: 2-[2-(3,4-dimethoxyphenyl)-5-hydroxy-3-keto-6-methoxy-chroman-7-yl]oxyacetic acid Formula: C20H20O9 MolecularWeight: 404.3674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=O)CC3=C(C(=C(C=C3O2)OCC(=O)O)OC)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=O)CC3=C(C(=C(C=C3O2)OCC(=O)O)OC)O)OC

InChI

InChI=1S/C20H20O9/c1-25-13-5-4-10(6-15(13)26-2)19-12(21)7-11-14(29-19)8-16(28-9-17(22)23)20(27-3)18(11)24/h4-6,8,19,24H,7,9H2,1-3H3,(H,22,23)