[4-bromanyl-1-(trioxidanylsulfanyloxy)butan-2-yl] hydrogen sulfate

Systemtic Name: [4-bromanyl-1-(trioxidanylsulfanyloxy)butan-2-yl] hydrogen sulfate Openeye Name: [3-bromo-1-(trioxidanylsulfanyloxymethyl)propyl] hydrogen sulfate CAS Name: sulfuric acid [4-bromo-1-(trioxidanylthio)oxybutan-2-yl] ester IUPAC Name: [4-bromo-1-(trioxidanylsulfanyloxy)butan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [3-bromo-1-[(trioxidanylthio)oxymethyl]propyl] ester Formula: C4H9BrO8S2 MolecularWeight: 329.14346

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Descriptors Computed from Structure

Canonical SMILES:

C(CBr)C(COSOOO)OS(=O)(=O)O

Isomeric SMILES

C(CBr)C(COSOOO)OS(=O)(=O)O

InChI

InChI=1S/C4H9BrO8S2/c5-2-1-4(11-15(7,8)9)3-10-14-13-12-6/h4,6H,1-3H2,(H,7,8,9)