sodium (2-methyl-4-oxidanidylperoxysulfanyl-phenyl) 2-bromanylethanesulfonate

Systemtic Name: sodium (2-methyl-4-oxidanidylperoxysulfanyl-phenyl) 2-bromanylethanesulfonate Openeye Name: sodium (2-methyl-4-oxidoperoxysulfanyl-phenyl) 2-bromoethanesulfonate CAS Name: sodium 2-bromoethanesulfonic acid [2-methyl-4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (2-methyl-4-oxidoperoxysulfanylphenyl) 2-bromoethanesulfonate Traditional Name: sodium 2-bromoethanesulfonic acid [2-methyl-4-(oxidoperoxythio)phenyl] ester Formula: C9H10BrNaO6S2 MolecularWeight: 381.19587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SOO[O-])OS(=O)(=O)CCBr.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)SOO[O-])OS(=O)(=O)CCBr.[Na+]

InChI

InChI=1S/C9H11BrO6S2.Na/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;/q;+1/p-1