2-(3-bromanylpropanoyloxy)benzenesulfonic acid

Systemtic Name: 2-(3-bromanylpropanoyloxy)benzenesulfonic acid Openeye Name: 2-(3-bromopropanoyloxy)benzenesulfonic acid CAS Name: 2-(3-bromo-1-oxopropoxy)benzenesulfonic acid IUPAC Name: 2-(3-bromopropanoyloxy)benzenesulfonic acid Traditional Name: 2-(3-bromopropanoyloxy)besylic acid Formula: C9H9BrO5S MolecularWeight: 309.13376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC(=O)CCBr)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OC(=O)CCBr)S(=O)(=O)O

InChI

InChI=1S/C9H9BrO5S/c10-6-5-9(11)15-7-3-1-2-4-8(7)16(12,13)14/h1-4H,5-6H2,(H,12,13,14)