barium(2+); 3-nitro-5-sulfonato-benzoate; hydrate

Systemtic Name: barium(2+); 3-nitro-5-sulfonato-benzoate; hydrate Openeye Name: barium(2+); 3-nitro-5-sulfonato-benzoate; hydrate CAS Name: barium(2+); 3-nitro-5-sulfonatobenzoate; hydrate IUPAC Name: barium(2+); 3-nitro-5-sulfonatobenzoate; hydrate Traditional Name: barium(2+); 3-nitro-5-sulfonato-benzoate; hydrate Formula: C7H5BaNO8S MolecularWeight: 400.5085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5NO7S.Ba.H2O/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;;/h1-3H,(H,9,10)(H,13,14,15);;1H2/q;+2;/p-2