5-(2-bromanyl-1-oxidanyl-ethyl)sulfonyloxy-2,4-dimethyl-benzenesulfonic acid

Systemtic Name: 5-(2-bromanyl-1-oxidanyl-ethyl)sulfonyloxy-2,4-dimethyl-benzenesulfonic acid Openeye Name: 5-(2-bromo-1-hydroxy-ethyl)sulfonyloxy-2,4-dimethyl-benzenesulfonic acid CAS Name: 5-(2-bromo-1-hydroxyethyl)sulfonyloxy-2,4-dimethylbenzenesulfonic acid IUPAC Name: 5-(2-bromo-1-hydroxyethyl)sulfonyloxy-2,4-dimethylbenzenesulfonic acid Traditional Name: 5-(2-bromo-1-hydroxy-ethyl)sulfonyloxy-2,4-dimethyl-besylic acid Formula: C10H13BrO7S2 MolecularWeight: 389.24002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OS(=O)(=O)C(CBr)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1OS(=O)(=O)C(CBr)O)S(=O)(=O)O)C

InChI

InChI=1S/C10H13BrO7S2/c1-6-3-7(2)9(19(13,14)15)4-8(6)18-20(16,17)10(12)5-11/h3-4,10,12H,5H2,1-2H3,(H,13,14,15)