[3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl] 3-bromanylpropanoate

Systemtic Name: [3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl] 3-bromanylpropanoate Openeye Name: [3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl] 3-bromopropanoate CAS Name: 3-bromopropanoic acid [3,5-dimethyl-4-(trioxidanylthio)phenyl] ester IUPAC Name: [3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl] 3-bromopropanoate Traditional Name: 3-bromopropionic acid [3,5-dimethyl-4-(trioxidanylthio)phenyl] ester Formula: C11H13BrO5S MolecularWeight: 337.18692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SOOO)C)OC(=O)CCBr

Isomeric SMILES

CC1=CC(=CC(=C1SOOO)C)OC(=O)CCBr

InChI

InChI=1S/C11H13BrO5S/c1-7-5-9(15-10(13)3-4-12)6-8(2)11(7)18-17-16-14/h5-6,14H,3-4H2,1-2H3