calcium 3-nitrobenzenesulfonate

Systemtic Name: calcium 3-nitrobenzenesulfonate Openeye Name: calcium 3-nitrobenzenesulfonate CAS Name: calcium 3-nitrobenzenesulfonate IUPAC Name: calcium 3-nitrobenzenesulfonate Traditional Name: calcium 3-nitrobesylate Formula: C12H8CaN2O10S2 MolecularWeight: 444.40732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Ca+2]

InChI

InChI=1S/2C6H5NO5S.Ca/c2*8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h2*1-4H,(H,10,11,12);/q;;+2/p-2