sodium 3-acetamidobenzenesulfonate dihydrate

Systemtic Name: sodium 3-acetamidobenzenesulfonate dihydrate Openeye Name: sodium 3-acetamidobenzenesulfonate dihydrate CAS Name: sodium 3-acetamidobenzenesulfonate dihydrate IUPAC Name: sodium 3-acetamidobenzenesulfonate dihydrate Traditional Name: sodium 3-acetamidobesylate dihydrate Formula: C8H12NNaO6S MolecularWeight: 273.23875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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