2-[[4-carboxy-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]methyl]propanedioic acid

Systemtic Name: 2-[[4-carboxy-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]methyl]propanedioic acid Openeye Name: 2-[(4-carboxy-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)methyl]propanedioic acid CAS Name: 2-[(4-carboxy-3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)methyl]propanedioic acid IUPAC Name: 2-[(4-carboxy-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)methyl]propanedioic acid Traditional Name: 2-[(4-carboxy-3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-5-yl)methyl]malonic acid Formula: C25H16O11 MolecularWeight: 492.38794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=C(C24C5=C(C(=C(C=C5)CC(C(=O)O)C(=O)O)C(=O)O)C(=O)O4)C=CC(=C3)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=C(C24C5=C(C(=C(C=C5)CC(C(=O)O)C(=O)O)C(=O)O)C(=O)O4)C=CC(=C3)O

InChI

InChI=1S/C25H16O11/c26-11-2-5-14-17(8-11)35-18-9-12(27)3-6-15(18)25(14)16-4-1-10(7-13(21(28)29)22(30)31)19(23(32)33)20(16)24(34)36-25/h1-6,8-9,13,26-27H,7H2,(H,28,29)(H,30,31)(H,32,33)