2-[2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxidanylidene-chromen-7-yl]oxyethanoic acid hydrate

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxidanylidene-chromen-7-yl]oxyethanoic acid hydrate Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-chromen-7-yl]oxyacetic acid hydrate CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-1-benzopyran-7-yl]oxy]acetic acid hydrate IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxochromen-7-yl]oxyacetic acid hydrate Traditional Name: 2-[2-(3,4-dimethoxyphenyl)-4-keto-5-methoxy-chromen-7-yl]oxyacetic acid hydrate Formula: C20H20O9 MolecularWeight: 404.3674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCC(=O)O)OC)OC.O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCC(=O)O)OC)OC.O

InChI

InChI=1S/C20H18O8.H2O/c1-24-14-5-4-11(6-16(14)25-2)15-9-13(21)20-17(26-3)7-12(8-18(20)28-15)27-10-19(22)23;/h4-9H,10H2,1-3H3,(H,22,23);1H2