sodium [2-cyano-4-(oxidanidyloxymethyl)-5-oxidanyl-phenyl] 2-bromanylethanesulfonate

Systemtic Name: sodium [2-cyano-4-(oxidanidyloxymethyl)-5-oxidanyl-phenyl] 2-bromanylethanesulfonate Openeye Name: sodium [2-cyano-5-hydroxy-4-(oxidooxymethyl)phenyl] 2-bromoethanesulfonate CAS Name: sodium 2-bromoethanesulfonic acid [2-cyano-5-hydroxy-4-(oxidooxymethyl)phenyl] ester IUPAC Name: sodium [2-cyano-5-hydroxy-4-(oxidooxymethyl)phenyl] 2-bromoethanesulfonate Traditional Name: sodium 2-bromoethanesulfonic acid [2-cyano-5-hydroxy-4-(oxidooxymethyl)phenyl] ester Formula: C10H9BrNNaO6S MolecularWeight: 374.14033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10BrNO6S.Na/c11-1-2-19(15,16)18-10-4-9(13)8(6-17-14)3-7(10)5-12;/h3-4,13-14H,1-2,6H2;/q;+1/p-1