[4-(bromomethyl)phenyl] hydrogen sulfate

Systemtic Name: [4-(bromomethyl)phenyl] hydrogen sulfate Openeye Name: [4-(bromomethyl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-(bromomethyl)phenyl] ester IUPAC Name: [4-(bromomethyl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-(bromomethyl)phenyl] ester Formula: C7H7BrO4S MolecularWeight: 267.09708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CBr)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CBr)OS(=O)(=O)O

InChI

InChI=1S/C7H7BrO4S/c8-5-6-1-3-7(4-2-6)12-13(9,10)11/h1-4H,5H2,(H,9,10,11)