disodium 3-(2-iodanylethanoylamino)-4-sulfinatooxy-benzenesulfonate

Systemtic Name: disodium 3-(2-iodanylethanoylamino)-4-sulfinatooxy-benzenesulfonate Openeye Name: disodium 3-[(2-iodoacetyl)amino]-4-sulfinatooxy-benzenesulfonate CAS Name: disodium 3-[(2-iodo-1-oxoethyl)amino]-4-sulfinatooxybenzenesulfonate IUPAC Name: disodium 3-[(2-iodoacetyl)amino]-4-sulfinatooxybenzenesulfonate Traditional Name: disodium 3-[(2-iodoacetyl)amino]-4-sulfito-besylate Formula: C8H6INNa2O7S2 MolecularWeight: 465.14975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8INO7S2.2Na/c9-4-8(11)10-6-3-5(19(14,15)16)1-2-7(6)17-18(12)13;;/h1-3H,4H2,(H,10,11)(H,12,13)(H,14,15,16);;/q;2*+1/p-2