barium(2+); 2-(4-sulfophenyl)ethanoate

Systemtic Name: barium(2+); 2-(4-sulfophenyl)ethanoate Openeye Name: barium(2+); 2-(4-sulfophenyl)acetate CAS Name: barium(2+); 2-(4-sulfophenyl)acetate IUPAC Name: barium(2+); 2-(4-sulfophenyl)acetate Traditional Name: barium(2+); 2-(4-sulfophenyl)acetate Formula: C16H14BaO10S2 MolecularWeight: 567.73336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)[O-])S(=O)(=O)O.C1=CC(=CC=C1CC(=O)[O-])S(=O)(=O)O.[Ba+2]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)[O-])S(=O)(=O)O.C1=CC(=CC=C1CC(=O)[O-])S(=O)(=O)O.[Ba+2]

InChI

InChI=1S/2C8H8O5S.Ba/c2*9-8(10)5-6-1-3-7(4-2-6)14(11,12)13;/h2*1-4H,5H2,(H,9,10)(H,11,12,13);/q;;+2/p-2