sodium 4-acetamidobenzenesulfonate iodide hydrate

Systemtic Name: sodium 4-acetamidobenzenesulfonate iodide hydrate Openeye Name: sodium 4-acetamidobenzenesulfonate iodide hydrate CAS Name: sodium 4-acetamidobenzenesulfonate iodide hydrate IUPAC Name: sodium 4-acetamidobenzenesulfonate iodide hydrate Traditional Name: sodium 4-acetamidobesylate iodide hydrate Formula: C8H10INNaO5S- MolecularWeight: 382.12794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[O-].O.[Na+].[I-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[O-].O.[Na+].[I-]

InChI

InChI=1S/C8H9NO4S.HI.Na.H2O/c1-6(10)9-7-2-4-8(5-3-7)14(11,12)13;;;/h2-5H,1H3,(H,9,10)(H,11,12,13);1H;;1H2/q;;+1;/p-2