sodium 4-(3-bromanylpropanoylamino)-3-(3-bromanylpropanoyloxy)benzenesulfonate

Systemtic Name: sodium 4-(3-bromanylpropanoylamino)-3-(3-bromanylpropanoyloxy)benzenesulfonate Openeye Name: sodium 4-(3-bromopropanoylamino)-3-(3-bromopropanoyloxy)benzenesulfonate CAS Name: sodium 3-(3-bromo-1-oxopropoxy)-4-[(3-bromo-1-oxopropyl)amino]benzenesulfonate IUPAC Name: sodium 4-(3-bromopropanoylamino)-3-(3-bromopropanoyloxy)benzenesulfonate Traditional Name: sodium 4-(3-bromopropanoylamino)-3-(3-bromopropanoyloxy)besylate Formula: C12H12Br2NNaO6S MolecularWeight: 481.08955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])OC(=O)CCBr)NC(=O)CCBr.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])OC(=O)CCBr)NC(=O)CCBr.[Na+]

InChI

InChI=1S/C12H13Br2NO6S.Na/c13-5-3-11(16)15-9-2-1-8(22(18,19)20)7-10(9)21-12(17)4-6-14;/h1-2,7H,3-6H2,(H,15,16)(H,18,19,20);/q;+1/p-1