[2,6-dimethyl-4-(trioxidanylsulfanyl)phenyl] 2-bromanylethanesulfonate

Systemtic Name: [2,6-dimethyl-4-(trioxidanylsulfanyl)phenyl] 2-bromanylethanesulfonate Openeye Name: [2,6-dimethyl-4-(trioxidanylsulfanyl)phenyl] 2-bromoethanesulfonate CAS Name: 2-bromoethanesulfonic acid [2,6-dimethyl-4-(trioxidanylthio)phenyl] ester IUPAC Name: [2,6-dimethyl-4-(trioxidanylsulfanyl)phenyl] 2-bromoethanesulfonate Traditional Name: 2-bromoethanesulfonic acid [2,6-dimethyl-4-(trioxidanylthio)phenyl] ester Formula: C10H13BrO6S2 MolecularWeight: 373.24062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OS(=O)(=O)CCBr)C)SOOO

Isomeric SMILES

CC1=CC(=CC(=C1OS(=O)(=O)CCBr)C)SOOO

InChI

InChI=1S/C10H13BrO6S2/c1-7-5-9(18-17-16-12)6-8(2)10(7)15-19(13,14)4-3-11/h5-6,12H,3-4H2,1-2H3