sodium [3-(3-bromanylpropanoylamino)-4-oxidanidylperoxysulfanyl-phenyl] 2-bromanylethanesulfonate

Systemtic Name: sodium [3-(3-bromanylpropanoylamino)-4-oxidanidylperoxysulfanyl-phenyl] 2-bromanylethanesulfonate Openeye Name: sodium [3-(3-bromopropanoylamino)-4-oxidoperoxysulfanyl-phenyl] 2-bromoethanesulfonate CAS Name: sodium 2-bromoethanesulfonic acid [3-[(3-bromo-1-oxopropyl)amino]-4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium [3-(3-bromopropanoylamino)-4-oxidoperoxysulfanylphenyl] 2-bromoethanesulfonate Traditional Name: sodium 2-bromoethanesulfonic acid [3-(3-bromopropanoylamino)-4-(oxidoperoxythio)phenyl] ester Formula: C11H12Br2NNaO7S2 MolecularWeight: 517.14325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OS(=O)(=O)CCBr)NC(=O)CCBr)SOO[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1OS(=O)(=O)CCBr)NC(=O)CCBr)SOO[O-].[Na+]

InChI

InChI=1S/C11H13Br2NO7S2.Na/c12-4-3-11(15)14-9-7-8(19-23(17,18)6-5-13)1-2-10(9)22-21-20-16;/h1-2,7,16H,3-6H2,(H,14,15);/q;+1/p-1