sodium 2,4,6-trinitrobenzenesulfonate dihydrate

Systemtic Name: sodium 2,4,6-trinitrobenzenesulfonate dihydrate Openeye Name: sodium 2,4,6-trinitrobenzenesulfonate dihydrate CAS Name: sodium 2,4,6-trinitrobenzenesulfonate dihydrate IUPAC Name: sodium 2,4,6-trinitrobenzenesulfonate dihydrate Traditional Name: sodium 2,4,6-trinitrobesylate dihydrate Formula: C6H6N3NaO11S MolecularWeight: 351.18011

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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-].O.O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O9S.Na.2H2O/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;;;/h1-2H,(H,16,17,18);;2*1H2/q;+1;;/p-1