6-[2-(4-hydroxyphenyl)-5,6-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxyoxane-2-carboxylic acid

Systemtic Name: 6-[2-(4-hydroxyphenyl)-5,6-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxyoxane-2-carboxylic acid Openeye Name: 6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxytetrahydropyran-2-carboxylic acid CAS Name: 6-[[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-2-oxanecarboxylic acid IUPAC Name: 6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid Traditional Name: 6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-7-yl]oxytetrahydropyran-2-carboxylic acid Formula: C21H18O9 MolecularWeight: 414.36222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC(C1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)C(=O)O

Isomeric SMILES

C1CC(OC(C1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)C(=O)O

InChI

InChI=1S/C21H18O9/c22-11-6-4-10(5-7-11)14-8-12(23)18-15(28-14)9-16(19(24)20(18)25)30-17-3-1-2-13(29-17)21(26)27/h4-9,13,17,22,24-25H,1-3H2,(H,26,27)