3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one diphosphate

Systemtic Name: 3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one diphosphate Openeye Name: 3',6'-dihydroxyspiro[isobenzofuran-3,9'-xanthene]-1-one diphosphate CAS Name: 3',6'-dihydroxy-1-spiro[isobenzofuran-3,9'-xanthene]one diphosphate IUPAC Name: 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one diphosphate Traditional Name: fluorescein diphosphate Formula: C40H24O18P2-6 MolecularWeight: 854.555282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/2C20H12O5.2H3O4P/c2*21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;2*1-5(2,3)4/h2*1-10,21-22H;2*(H3,1,2,3,4)/p-6