dipotassium 2-(2-bromanylethanoylamino)benzene-1,4-disulfonate

Systemtic Name: dipotassium 2-(2-bromanylethanoylamino)benzene-1,4-disulfonate Openeye Name: dipotassium 2-[(2-bromoacetyl)amino]benzene-1,4-disulfonate CAS Name: dipotassium 2-[(2-bromo-1-oxoethyl)amino]benzene-1,4-disulfonate IUPAC Name: dipotassium 2-[(2-bromoacetyl)amino]benzene-1,4-disulfonate Traditional Name: dipotassium 2-[(2-bromoacetyl)amino]benzene-1,4-disulfonate Formula: C8H6BrK2NO7S2 MolecularWeight: 450.36634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])NC(=O)CBr)S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])NC(=O)CBr)S(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C8H8BrNO7S2.2K/c9-4-8(11)10-6-3-5(18(12,13)14)1-2-7(6)19(15,16)17;;/h1-3H,4H2,(H,10,11)(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2