2-acetamidobenzenesulfonate; barium(2+)

Systemtic Name: 2-acetamidobenzenesulfonate; barium(2+) Openeye Name: 2-acetamidobenzenesulfonate; barium(2+) CAS Name: 2-acetamidobenzenesulfonate; barium(2+) IUPAC Name: 2-acetamidobenzenesulfonate; barium(2+) Traditional Name: 2-acetamidobesylate; barium(2+) Formula: C16H16BaN2O8S2 MolecularWeight: 565.76384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1S(=O)(=O)[O-].CC(=O)NC1=CC=CC=C1S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

CC(=O)NC1=CC=CC=C1S(=O)(=O)[O-].CC(=O)NC1=CC=CC=C1S(=O)(=O)[O-].[Ba+2]

InChI

InChI=1S/2C8H9NO4S.Ba/c2*1-6(10)9-7-4-2-3-5-8(7)14(11,12)13;/h2*2-5H,1H3,(H,9,10)(H,11,12,13);/q;;+2/p-2