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

Systemtic Name: [2,3,5-tris(bromanyl)-6-oxidanyl-4-(sulfooxymethyl)phenyl] hydrogen sulfate Openeye Name: [2,3,5-tribromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [2,3,5-tribromo-6-hydroxy-4-(sulfooxymethyl)phenyl] ester IUPAC Name: [2,3,5-tribromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid (2,3,6-tribromo-5-hydroxy-4-sulfoxy-benzyl) ester Formula: C7H5Br3O9S2 MolecularWeight: 536.9512

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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

Isomeric SMILES

C(C1=C(C(=C(C(=C1Br)Br)OS(=O)(=O)O)O)Br)OS(=O)(=O)O

InChI

InChI=1S/C7H5Br3O9S2/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)