sodium [4-(oxidanidyloxymethyl)-2-oxidanyl-phenyl] 2-bromanylethanesulfonate

Systemtic Name: sodium [4-(oxidanidyloxymethyl)-2-oxidanyl-phenyl] 2-bromanylethanesulfonate Openeye Name: sodium [2-hydroxy-4-(oxidooxymethyl)phenyl] 2-bromoethanesulfonate CAS Name: sodium 2-bromoethanesulfonic acid [2-hydroxy-4-(oxidooxymethyl)phenyl] ester IUPAC Name: sodium [2-hydroxy-4-(oxidooxymethyl)phenyl] 2-bromoethanesulfonate Traditional Name: sodium 2-bromoethanesulfonic acid [2-hydroxy-4-(oxidooxymethyl)phenyl] ester Formula: C9H10BrNaO6S MolecularWeight: 349.13087

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CO[O-])O)OS(=O)(=O)CCBr.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1CO[O-])O)OS(=O)(=O)CCBr.[Na+]

InChI

InChI=1S/C9H11BrO6S.Na/c10-3-4-17(13,14)16-9-2-1-7(6-15-12)5-8(9)11;/h1-2,5,11-12H,3-4,6H2;/q;+1/p-1