sodium 2,3,4-trinitrobenzenesulfonate

Systemtic Name: sodium 2,3,4-trinitrobenzenesulfonate Openeye Name: sodium 2,3,4-trinitrobenzenesulfonate CAS Name: sodium 2,3,4-trinitrobenzenesulfonate IUPAC Name: sodium 2,3,4-trinitrobenzenesulfonate Traditional Name: sodium 2,3,4-trinitrobesylate Formula: C6H2N3NaO9S MolecularWeight: 315.14955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C6H3N3O9S.Na/c10-7(11)3-1-2-4(19(16,17)18)6(9(14)15)5(3)8(12)13;/h1-2H,(H,16,17,18);/q;+1/p-1