barium(2+); 5-methyl-4-sulfonato-furan-2-carboxylate

Systemtic Name: barium(2+); 5-methyl-4-sulfonato-furan-2-carboxylate Openeye Name: barium(2+); 5-methyl-4-sulfonato-furan-2-carboxylate CAS Name: barium(2+); 5-methyl-4-sulfonato-2-furancarboxylate IUPAC Name: barium(2+); 5-methyl-4-sulfonatofuran-2-carboxylate Traditional Name: barium(2+); 5-methyl-4-sulfonato-2-furoate Formula: C6H4BaO6S MolecularWeight: 341.48436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])S(=O)(=O)[O-].[Ba+2]

InChI

InChI=1S/C6H6O6S.Ba/c1-3-5(13(9,10)11)2-4(12-3)6(7)8;/h2H,1H3,(H,7,8)(H,9,10,11);/q;+2/p-2