7-[6-carboxy-3,4,5-tris(oxidanyl)oxan-2-yl]-9-oxidanylidene-xanthene-3,4-dicarboxylic acid

Systemtic Name: 7-[6-carboxy-3,4,5-tris(oxidanyl)oxan-2-yl]-9-oxidanylidene-xanthene-3,4-dicarboxylic acid Openeye Name: 7-(6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl)-9-oxo-xanthene-3,4-dicarboxylic acid CAS Name: 7-(6-carboxy-3,4,5-trihydroxy-2-oxanyl)-9-oxoxanthene-3,4-dicarboxylic acid IUPAC Name: 7-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)-9-oxoxanthene-3,4-dicarboxylic acid Traditional Name: 7-(6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl)-9-keto-xanthene-3,4-dicarboxylic acid Formula: C21H16O12 MolecularWeight: 460.34454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C3C(C(C(C(O3)C(=O)O)O)O)O)C(=O)C4=C(O2)C(=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C3C(C(C(C(O3)C(=O)O)O)O)O)C(=O)C4=C(O2)C(=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C21H16O12/c22-12-8-3-2-7(19(26)27)11(20(28)29)17(8)32-10-4-1-6(5-9(10)12)16-14(24)13(23)15(25)18(33-16)21(30)31/h1-5,13-16,18,23-25H,(H,26,27)(H,28,29)(H,30,31)