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

Systemtic Name: [2,3-bis(bromanyl)-6-oxidanyl-4-(sulfooxymethyl)phenyl] hydrogen sulfate Openeye Name: [2,3-dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [2,3-dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] ester IUPAC Name: [2,3-dibromo-6-hydroxy-4-(sulfooxymethyl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid (2,3-dibromo-5-hydroxy-4-sulfoxy-benzyl) ester Formula: C7H6Br2O9S2 MolecularWeight: 458.05514

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1O)OS(=O)(=O)O)Br)Br)COS(=O)(=O)O

Isomeric SMILES

C1=C(C(=C(C(=C1O)OS(=O)(=O)O)Br)Br)COS(=O)(=O)O

InChI

InChI=1S/C7H6Br2O9S2/c8-5-3(2-17-19(11,12)13)1-4(10)7(6(5)9)18-20(14,15)16/h1,10H,2H2,(H,11,12,13)(H,14,15,16)