disodium [6,8-dideuterio-4-oxidanylidene-3-(2,3,5,6-tetradeuterio-4-sulfonatooxy-phenyl)chromen-7-yl] sulfate

Systemtic Name: disodium [6,8-dideuterio-4-oxidanylidene-3-(2,3,5,6-tetradeuterio-4-sulfonatooxy-phenyl)chromen-7-yl] sulfate Openeye Name: disodium [6,8-dideuterio-4-oxo-3-(2,3,5,6-tetradeuterio-4-sulfonatooxy-phenyl)chromen-7-yl] sulfate CAS Name: disodium [6,8-dideuterio-4-oxo-3-(2,3,5,6-tetradeuterio-4-sulfonatooxyphenyl)-1-benzopyran-7-yl] sulfate IUPAC Name: disodium [6,8-dideuterio-4-oxo-3-(2,3,5,6-tetradeuterio-4-sulfonatooxyphenyl)chromen-7-yl] sulfate Traditional Name: disodium [6,8-dideuterio-4-keto-3-(2,3,5,6-tetradeuterio-4-sulfato-phenyl)chromen-7-yl] sulfate Formula: C15H8Na2O10S2 MolecularWeight: 464.364531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

[2H]C1=CC2=C(C(=C1OS(=O)(=O)[O-])[2H])OC=C(C2=O)C3=C(C(=C(C(=C3[2H])[2H])OS(=O)(=O)[O-])[2H])[2H].[Na+].[Na+]

InChI

InChI=1S/C15H10O10S2.2Na/c16-15-12-6-5-11(25-27(20,21)22)7-14(12)23-8-13(15)9-1-3-10(4-2-9)24-26(17,18)19;;/h1-8H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2/i1D,2D,3D,4D,5D,7D;;