nickel(2+); 2,4,6-trinitrobenzenesulfonate

Systemtic Name: nickel(2+); 2,4,6-trinitrobenzenesulfonate Openeye Name: nickelous 2,4,6-trinitrobenzenesulfonate CAS Name: nickel(2+); 2,4,6-trinitrobenzenesulfonate IUPAC Name: nickel(2+); 2,4,6-trinitrobenzenesulfonate Traditional Name: nickelous 2,4,6-trinitrobesylate Formula: C12H4N6NiO18S2 MolecularWeight: 643.01296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H3N3O9S.Ni/c2*10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;/h2*1-2H,(H,16,17,18);/q;;+2/p-2