[2-methyl-4-(trioxidanylsulfanyl)phenyl] 2-bromanylethanesulfonate

Systemtic Name: [2-methyl-4-(trioxidanylsulfanyl)phenyl] 2-bromanylethanesulfonate Openeye Name: [2-methyl-4-(trioxidanylsulfanyl)phenyl] 2-bromoethanesulfonate CAS Name: 2-bromoethanesulfonic acid [2-methyl-4-(trioxidanylthio)phenyl] ester IUPAC Name: [2-methyl-4-(trioxidanylsulfanyl)phenyl] 2-bromoethanesulfonate Traditional Name: 2-bromoethanesulfonic acid [2-methyl-4-(trioxidanylthio)phenyl] ester Formula: C9H11BrO6S2 MolecularWeight: 359.21404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11BrO6S2/c1-7-6-8(17-16-15-11)2-3-9(7)14-18(12,13)5-4-10/h2-3,6,11H,4-5H2,1H3