trimethyloxidanium; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: trimethyloxidanium; 2,4,6-trinitrobenzenesulfonate Openeye Name: trimethyloxonium; 2,4,6-trinitrobenzenesulfonate CAS Name: trimethyloxonium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: trimethyloxidanium; 2,4,6-trinitrobenzenesulfonate Traditional Name: trimethyloxonium; 2,4,6-trinitrobesylate Formula: C9H11N3O10S MolecularWeight: 353.26274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O9S.C3H9O/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;1-4(2)3/h1-2H,(H,16,17,18);1-3H3/q;+1/p-1