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

Systemtic Name: 7-[6-carboxy-3,4,5-tris(oxidanyl)oxan-2-yl]-9-oxidanylidene-xanthene-2,3,4-tricarboxylic acid Openeye Name: 7-(6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl)-9-oxo-xanthene-2,3,4-tricarboxylic acid CAS Name: 7-(6-carboxy-3,4,5-trihydroxy-2-oxanyl)-9-oxoxanthene-2,3,4-tricarboxylic acid IUPAC Name: 7-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)-9-oxoxanthene-2,3,4-tricarboxylic acid Traditional Name: 7-(6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl)-9-keto-xanthene-2,3,4-tricarboxylic acid Formula: C22H16O14 MolecularWeight: 504.35404

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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=CC(=C(C(=C4O2)C(=O)O)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=CC(=C(C(=C4O2)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C22H16O14/c23-12-6-3-5(16-14(25)13(24)15(26)18(36-16)22(33)34)1-2-9(6)35-17-8(12)4-7(19(27)28)10(20(29)30)11(17)21(31)32/h1-4,13-16,18,24-26H,(H,27,28)(H,29,30)(H,31,32)(H,33,34)