3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5,6-dicarboxylic acid

Systemtic Name: 3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5,6-dicarboxylic acid Openeye Name: 3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5,6-dicarboxylic acid CAS Name: 3',6'-dihydroxy-3-oxospiro[isobenzofuran-1,9'-xanthene]-5,6-dicarboxylic acid IUPAC Name: 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5,6-dicarboxylic acid Traditional Name: 3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-5,6-dicarboxylic acid Formula: C22H12O9 MolecularWeight: 420.32528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=C(C24C5=CC(=C(C=C5C(=O)O4)C(=O)O)C(=O)O)C=CC(=C3)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=C(C24C5=CC(=C(C=C5C(=O)O4)C(=O)O)C(=O)O)C=CC(=C3)O

InChI

InChI=1S/C22H12O9/c23-9-1-3-14-17(5-9)30-18-6-10(24)2-4-15(18)22(14)16-8-12(20(27)28)11(19(25)26)7-13(16)21(29)31-22/h1-8,23-24H,(H,25,26)(H,27,28)