trisodium 5-[1-(4-oxidanidyl-3-sulfonato-phenyl)-3-oxidanylidene-2-benzofuran-1-yl]-2-oxidanyl-benzenesulfonate

Systemtic Name: trisodium 5-[1-(4-oxidanidyl-3-sulfonato-phenyl)-3-oxidanylidene-2-benzofuran-1-yl]-2-oxidanyl-benzenesulfonate Openeye Name: trisodium 2-hydroxy-5-[1-(4-oxido-3-sulfonato-phenyl)-3-oxo-isobenzofuran-1-yl]benzenesulfonate CAS Name: trisodium 2-hydroxy-5-[1-(4-oxido-3-sulfonatophenyl)-3-oxo-1-isobenzofuranyl]benzenesulfonate IUPAC Name: trisodium 2-hydroxy-5-[1-(4-oxido-3-sulfonatophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate Traditional Name: trisodium 2-hydroxy-5-[3-keto-1-(4-oxido-3-sulfonato-phenyl)phthalan-1-yl]besylate Formula: C20H11Na3O10S2 MolecularWeight: 544.39465

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)O)S(=O)(=O)[O-])C4=CC(=C(C=C4)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)O)S(=O)(=O)[O-])C4=CC(=C(C=C4)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C20H14O10S2.3Na/c21-15-7-5-11(9-17(15)31(24,25)26)20(14-4-2-1-3-13(14)19(23)30-20)12-6-8-16(22)18(10-12)32(27,28)29;;;/h1-10,21-22H,(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3