disodium [2,3,5-tris(bromanyl)-6-oxidanyl-4-(sulfonatooxymethyl)phenyl] sulfate

Systemtic Name: disodium [2,3,5-tris(bromanyl)-6-oxidanyl-4-(sulfonatooxymethyl)phenyl] sulfate Openeye Name: disodium [2,3,5-tribromo-6-hydroxy-4-(sulfonatooxymethyl)phenyl] sulfate CAS Name: disodium [2,3,5-tribromo-6-hydroxy-4-(sulfonatooxymethyl)phenyl] sulfate IUPAC Name: disodium [2,3,5-tribromo-6-hydroxy-4-(sulfonatooxymethyl)phenyl] sulfate Traditional Name: disodium (2,3,6-tribromo-5-hydroxy-4-sulfato-benzyl) sulfate Formula: C7H3Br3Na2O9S2 MolecularWeight: 580.91486

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(C(=C(C(=C1Br)Br)OS(=O)(=O)[O-])O)Br)OS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C(C1=C(C(=C(C(=C1Br)Br)OS(=O)(=O)[O-])O)Br)OS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C7H5Br3O9S2.2Na/c8-3-2(1-18-20(12,13)14)4(9)6(11)7(5(3)10)19-21(15,16)17;;/h11H,1H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2