barium(2+); butanedioate; 4-methylbenzenesulfonate

Systemtic Name: barium(2+); butanedioate; 4-methylbenzenesulfonate Openeye Name: barium(2+); butanedioate; 4-methylbenzenesulfonate CAS Name: barium(2+); butanedioate; 4-methylbenzenesulfonate IUPAC Name: barium(2+); butanedioate; 4-methylbenzenesulfonate Traditional Name: barium(2+); succinate; tosylate Formula: C11H11Ba2O7S+ MolecularWeight: 561.91984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(CC(=O)[O-])C(=O)[O-].[Ba+2].[Ba+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(CC(=O)[O-])C(=O)[O-].[Ba+2].[Ba+2]

InChI

InChI=1S/C7H8O3S.C4H6O4.2Ba/c1-6-2-4-7(5-3-6)11(8,9)10;5-3(6)1-2-4(7)8;;/h2-5H,1H3,(H,8,9,10);1-2H2,(H,5,6)(H,7,8);;/q;;2*+2/p-3