4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-chromene-3-carboxylic acid

Systemtic Name: 4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-chromene-3-carboxylic acid Openeye Name: 2-oxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromene-3-carboxylic acid CAS Name: 2-oxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-3-carboxylic acid IUPAC Name: 2-oxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromene-3-carboxylic acid Traditional Name: 2-keto-4-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)chromene-3-carboxylic acid Formula: C16H16O9 MolecularWeight: 352.29284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)O2)C(=O)O)C3C(C(C(C(O3)CO)O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)C(=O)O)C3C(C(C(C(O3)CO)O)O)O

InChI

InChI=1S/C16H16O9/c17-5-8-11(18)12(19)13(20)14(24-8)9-6-3-1-2-4-7(6)25-16(23)10(9)15(21)22/h1-4,8,11-14,17-20H,5H2,(H,21,22)