[2-methyl-6-oxidanyl-4-(trioxidanylsulfanyl)phenyl] 2-bromanylethanesulfonate

Systemtic Name: [2-methyl-6-oxidanyl-4-(trioxidanylsulfanyl)phenyl] 2-bromanylethanesulfonate Openeye Name: [2-hydroxy-6-methyl-4-(trioxidanylsulfanyl)phenyl] 2-bromoethanesulfonate CAS Name: 2-bromoethanesulfonic acid [2-hydroxy-6-methyl-4-(trioxidanylthio)phenyl] ester IUPAC Name: [2-hydroxy-6-methyl-4-(trioxidanylsulfanyl)phenyl] 2-bromoethanesulfonate Traditional Name: 2-bromoethanesulfonic acid [2-hydroxy-6-methyl-4-(trioxidanylthio)phenyl] ester Formula: C9H11BrO7S2 MolecularWeight: 375.21344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11BrO7S2/c1-6-4-7(18-17-16-12)5-8(11)9(6)15-19(13,14)3-2-10/h4-5,11-12H,2-3H2,1H3