dimethyl-bis(3-methylsulfonyloxypropyl)azanium; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: dimethyl-bis(3-methylsulfonyloxypropyl)azanium; 2,4,6-trinitrobenzenesulfonate Openeye Name: dimethyl-bis(3-methylsulfonyloxypropyl)ammonium; 2,4,6-trinitrobenzenesulfonate CAS Name: dimethyl-bis(3-methylsulfonyloxypropyl)ammonium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: dimethyl-bis(3-methylsulfonyloxypropyl)azanium; 2,4,6-trinitrobenzenesulfonate Traditional Name: dimethyl-bis(3-methylsulfonyloxypropyl)ammonium; 2,4,6-trinitrobesylate Formula: C16H26N4O15S3 MolecularWeight: 610.59044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H24NO6S2.C6H3N3O9S/c1-11(2,7-5-9-16-18(3,12)13)8-6-10-17-19(4,14)15;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h5-10H2,1-4H3;1-2H,(H,16,17,18)/q+1;/p-1