trisodium 3',6'-bis(oxidanidyl)-1-oxidanylidene-spiro[2-benzofuran-3,9'-xanthene]-5-carboxylate

Systemtic Name: trisodium 3',6'-bis(oxidanidyl)-1-oxidanylidene-spiro[2-benzofuran-3,9'-xanthene]-5-carboxylate Openeye Name: trisodium 3',6'-dioxido-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-carboxylate CAS Name: trisodium 3',6'-dioxido-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]carboxylate IUPAC Name: trisodium 3',6'-dioxido-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate Traditional Name: trisodium 1-keto-3',6'-dioxido-spiro[phthalan-3,9'-xanthene]-5-carboxylate Formula: C21H9Na3O7 MolecularWeight: 442.26127

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)[O-])C3(C4=C(C=C(C=C4)[O-])OC5=C3C=CC(=C5)[O-])OC2=O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)[O-])C3(C4=C(C=C(C=C4)[O-])OC5=C3C=CC(=C5)[O-])OC2=O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C21H12O7.3Na/c22-11-2-5-14-17(8-11)27-18-9-12(23)3-6-15(18)21(14)16-7-10(19(24)25)1-4-13(16)20(26)28-21;;;/h1-9,22-23H,(H,24,25);;;/q;3*+1/p-3