barium(2+); 3-oxidanidyl-4-(2-oxidanidyl-4-sulfonato-phenyl)benzenesulfonate

Systemtic Name: barium(2+); 3-oxidanidyl-4-(2-oxidanidyl-4-sulfonato-phenyl)benzenesulfonate Openeye Name: barium(2+); 3-oxido-4-(2-oxido-4-sulfonato-phenyl)benzenesulfonate CAS Name: barium(2+); 3-oxido-4-(2-oxido-4-sulfonatophenyl)benzenesulfonate IUPAC Name: barium(2+); 3-oxido-4-(2-oxido-4-sulfonatophenyl)benzenesulfonate Traditional Name: barium(2+); 3-oxido-4-(2-oxido-4-sulfonato-phenyl)besylate Formula: C12H6BaO8S2-2 MolecularWeight: 479.62824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])[O-])C2=C(C=C(C=C2)S(=O)(=O)[O-])[O-].[Ba+2]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])[O-])C2=C(C=C(C=C2)S(=O)(=O)[O-])[O-].[Ba+2]

InChI

InChI=1S/C12H10O8S2.Ba/c13-11-5-7(21(15,16)17)1-3-9(11)10-4-2-8(6-12(10)14)22(18,19)20;/h1-6,13-14H,(H,15,16,17)(H,18,19,20);/q;+2/p-4