disodium 2-(2-iodanylethanoylamino)benzene-1,4-disulfonate

Systemtic Name: disodium 2-(2-iodanylethanoylamino)benzene-1,4-disulfonate Openeye Name: disodium 2-[(2-iodoacetyl)amino]benzene-1,4-disulfonate CAS Name: disodium 2-[(2-iodo-1-oxoethyl)amino]benzene-1,4-disulfonate IUPAC Name: disodium 2-[(2-iodoacetyl)amino]benzene-1,4-disulfonate Traditional Name: disodium 2-[(2-iodoacetyl)amino]benzene-1,4-disulfonate Formula: C8H6INNa2O7S2 MolecularWeight: 465.14975

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])NC(=O)CI)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])NC(=O)CI)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C8H8INO7S2.2Na/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