barium(2+); (1Z)-2-methylbuta-1,3-diene-1-sulfonate

Systemtic Name: barium(2+); (1Z)-2-methylbuta-1,3-diene-1-sulfonate Openeye Name: barium(2+); (1Z)-2-methylbuta-1,3-diene-1-sulfonate CAS Name: barium(2+); (1Z)-2-methyl-1-buta-1,3-dienesulfonate IUPAC Name: barium(2+); (1Z)-2-methylbuta-1,3-diene-1-sulfonate Traditional Name: barium(2+); (1Z)-2-methylbuta-1,3-diene-1-sulfonate Formula: C10H14BaO6S2 MolecularWeight: 431.67156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CS(=O)(=O)[O-])C=C.CC(=CS(=O)(=O)[O-])C=C.[Ba+2]

Isomeric SMILES

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

InChI

InChI=1S/2C5H8O3S.Ba/c2*1-3-5(2)4-9(6,7)8;/h2*3-4H,1H2,2H3,(H,6,7,8);/q;;+2/p-2/b2*5-4-;