4-aminocarbonyl-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylate

Systemtic Name: 4-aminocarbonyl-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylate Openeye Name: 4-carbamoyl-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylate CAS Name: 4-carbamoyl-3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]carboxylate IUPAC Name: 4-carbamoyl-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate Traditional Name: 4-carbamoyl-3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-5-carboxylate Formula: C22H12NO8- MolecularWeight: 418.33258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=C(C24C5=C(C(=C(C=C5)C(=O)[O-])C(=O)N)C(=O)O4)C=CC(=C3)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=C(C24C5=C(C(=C(C=C5)C(=O)[O-])C(=O)N)C(=O)O4)C=CC(=C3)O

InChI

InChI=1S/C22H13NO8/c23-19(26)17-11(20(27)28)3-6-14-18(17)21(29)31-22(14)12-4-1-9(24)7-15(12)30-16-8-10(25)2-5-13(16)22/h1-8,24-25H,(H2,23,26)(H,27,28)/p-1