[4-(trioxidanylsulfanyl)phenyl] 3-bromanylpropanoate

Systemtic Name: [4-(trioxidanylsulfanyl)phenyl] 3-bromanylpropanoate Openeye Name: [4-(trioxidanylsulfanyl)phenyl] 3-bromopropanoate CAS Name: 3-bromopropanoic acid [4-(trioxidanylthio)phenyl] ester IUPAC Name: [4-(trioxidanylsulfanyl)phenyl] 3-bromopropanoate Traditional Name: 3-bromopropionic acid [4-(trioxidanylthio)phenyl] ester Formula: C9H9BrO5S MolecularWeight: 309.13376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=O)CCBr)SOOO

Isomeric SMILES

C1=CC(=CC=C1OC(=O)CCBr)SOOO

InChI

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