ethyl-(2-ethylcyclooctyl)-methyl-sulfanium; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: ethyl-(2-ethylcyclooctyl)-methyl-sulfanium; 2,4,6-trinitrobenzenesulfonate Openeye Name: ethyl-(2-ethylcyclooctyl)-methyl-sulfonium; 2,4,6-trinitrobenzenesulfonate CAS Name: ethyl-(2-ethylcyclooctyl)-methylsulfonium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: ethyl-(2-ethylcyclooctyl)-methylsulfanium; 2,4,6-trinitrobenzenesulfonate Traditional Name: ethyl-(2-ethylcyclooctyl)-methyl-sulfonium; 2,4,6-trinitrobesylate Formula: C19H29N3O9S2 MolecularWeight: 507.57826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCCCC1[S+](C)CC.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCCCC1[S+](C)CC.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H27S.C6H3N3O9S/c1-4-12-10-8-6-7-9-11-13(12)14(3)5-2;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h12-13H,4-11H2,1-3H3;1-2H,(H,16,17,18)/q+1;/p-1