sodium 6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: sodium 6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: sodium 3,4,5-trihydroxy-6-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-2-carboxylate CAS Name: sodium 3,4,5-trihydroxy-6-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-2-oxanecarboxylate IUPAC Name: sodium 3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylate Traditional Name: sodium 3,4,5-trihydroxy-6-(2-keto-4-methyl-chromen-7-yl)oxy-tetrahydropyran-2-carboxylate Formula: C16H15NaO9 MolecularWeight: 374.27467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)[O-])O)O)O.[Na+]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)[O-])O)O)O.[Na+]

InChI

InChI=1S/C16H16O9.Na/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22;/h2-5,11-14,16,18-20H,1H3,(H,21,22);/q;+1/p-1