2-(3-bromanylpropyl)-5-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 2-(3-bromanylpropyl)-5-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 2-(3-bromopropyl)-5-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 2-(3-bromopropyl)-5-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 2-(3-bromopropyl)-5-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 2-(3-bromopropyl)-5-(trioxidanylthio)besylic acid Formula: C9H11BrO6S2 MolecularWeight: 359.21404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SOOO)S(=O)(=O)O)CCCBr

Isomeric SMILES

C1=CC(=C(C=C1SOOO)S(=O)(=O)O)CCCBr

InChI

InChI=1S/C9H11BrO6S2/c10-5-1-2-7-3-4-8(17-16-15-11)6-9(7)18(12,13)14/h3-4,6,11H,1-2,5H2,(H,12,13,14)