(2-bromanylcyclooctyl)-dimethyl-sulfanium; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: (2-bromanylcyclooctyl)-dimethyl-sulfanium; 2,4,6-trinitrobenzenesulfonate Openeye Name: (2-bromocyclooctyl)-dimethyl-sulfonium; 2,4,6-trinitrobenzenesulfonate CAS Name: (2-bromocyclooctyl)-dimethylsulfonium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: (2-bromocyclooctyl)-dimethylsulfanium; 2,4,6-trinitrobenzenesulfonate Traditional Name: (2-bromocyclooctyl)-dimethyl-sulfonium; 2,4,6-trinitrobesylate Formula: C16H22BrN3O9S2 MolecularWeight: 544.39458

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)C1CCCCCCC1Br.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[S+](C)C1CCCCCCC1Br.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H20BrS.C6H3N3O9S/c1-12(2)10-8-6-4-3-5-7-9(10)11;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h9-10H,3-8H2,1-2H3;1-2H,(H,16,17,18)/q+1;/p-1