[2-methyl-4-(trioxidanylsulfanyl)phenyl] 3-bromanylpropanoate

Systemtic Name: [2-methyl-4-(trioxidanylsulfanyl)phenyl] 3-bromanylpropanoate Openeye Name: [2-methyl-4-(trioxidanylsulfanyl)phenyl] 3-bromopropanoate CAS Name: 3-bromopropanoic acid [2-methyl-4-(trioxidanylthio)phenyl] ester IUPAC Name: [2-methyl-4-(trioxidanylsulfanyl)phenyl] 3-bromopropanoate Traditional Name: 3-bromopropionic acid [2-methyl-4-(trioxidanylthio)phenyl] ester Formula: C10H11BrO5S MolecularWeight: 323.16034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SOOO)OC(=O)CCBr

Isomeric SMILES

CC1=C(C=CC(=C1)SOOO)OC(=O)CCBr

InChI

InChI=1S/C10H11BrO5S/c1-7-6-8(17-16-15-13)2-3-9(7)14-10(12)4-5-11/h2-3,6,13H,4-5H2,1H3