disodium [5-oxidanyl-4-oxidanylidene-3-(2,3,5,6-tetradeuterio-4-sulfonatooxy-phenyl)chromen-7-yl] sulfate

Systemtic Name: disodium [5-oxidanyl-4-oxidanylidene-3-(2,3,5,6-tetradeuterio-4-sulfonatooxy-phenyl)chromen-7-yl] sulfate Openeye Name: disodium [5-hydroxy-4-oxo-3-(2,3,5,6-tetradeuterio-4-sulfonatooxy-phenyl)chromen-7-yl] sulfate CAS Name: disodium [5-hydroxy-4-oxo-3-(2,3,5,6-tetradeuterio-4-sulfonatooxyphenyl)-1-benzopyran-7-yl] sulfate IUPAC Name: disodium [5-hydroxy-4-oxo-3-(2,3,5,6-tetradeuterio-4-sulfonatooxyphenyl)chromen-7-yl] sulfate Traditional Name: disodium [5-hydroxy-4-keto-3-(2,3,5,6-tetradeuterio-4-sulfato-phenyl)chromen-7-yl] sulfate Formula: C15H8Na2O11S2 MolecularWeight: 478.351607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1C2=COC3=CC(=CC(=C3C2=O)O)OS(=O)(=O)[O-])[2H])[2H])OS(=O)(=O)[O-])[2H].[Na+].[Na+]

InChI

InChI=1S/C15H10O11S2.2Na/c16-12-5-10(26-28(21,22)23)6-13-14(12)15(17)11(7-24-13)8-1-3-9(4-2-8)25-27(18,19)20;;/h1-7,16H,(H,18,19,20)(H,21,22,23);;/q;2*+1/p-2/i1D,2D,3D,4D;;