[2,3-bis(bromanyl)-4-(hydroxymethyl)-6-sulfooxy-phenyl] hydrogen sulfate

Systemtic Name: [2,3-bis(bromanyl)-4-(hydroxymethyl)-6-sulfooxy-phenyl] hydrogen sulfate Openeye Name: [2,3-dibromo-4-(hydroxymethyl)-6-sulfooxy-phenyl] hydrogen sulfate CAS Name: sulfuric acid [2,3-dibromo-4-(hydroxymethyl)-6-sulfooxyphenyl] ester IUPAC Name: [2,3-dibromo-4-(hydroxymethyl)-6-sulfooxyphenyl] hydrogen sulfate Traditional Name: sulfuric acid (2,3-dibromo-4-methylol-6-sulfoxy-phenyl) ester Formula: C7H6Br2O9S2 MolecularWeight: 458.05514

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1OS(=O)(=O)O)OS(=O)(=O)O)Br)Br)CO

Isomeric SMILES

C1=C(C(=C(C(=C1OS(=O)(=O)O)OS(=O)(=O)O)Br)Br)CO

InChI

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