sodium 4-(2-iodanylethanoylamino)benzenesulfonate hydrate

Systemtic Name: sodium 4-(2-iodanylethanoylamino)benzenesulfonate hydrate Openeye Name: sodium 4-[(2-iodoacetyl)amino]benzenesulfonate hydrate CAS Name: sodium 4-[(2-iodo-1-oxoethyl)amino]benzenesulfonate hydrate IUPAC Name: sodium 4-[(2-iodoacetyl)amino]benzenesulfonate hydrate Traditional Name: sodium 4-[(2-iodoacetyl)amino]besylate hydrate Formula: C8H9INNaO5S MolecularWeight: 381.12

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CI)S(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CI)S(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C8H8INO4S.Na.H2O/c9-5-8(11)10-6-1-3-7(4-2-6)15(12,13)14;;/h1-4H,5H2,(H,10,11)(H,12,13,14);;1H2/q;+1;/p-1