diethyl(4-ethylsulfanylhex-3-en-3-yl)sulfanium; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: diethyl(4-ethylsulfanylhex-3-en-3-yl)sulfanium; 2,4,6-trinitrobenzenesulfonate Openeye Name: diethyl-(1-ethyl-2-ethylsulfanyl-but-1-enyl)sulfonium; 2,4,6-trinitrobenzenesulfonate CAS Name: diethyl-[4-(ethylthio)hex-3-en-3-yl]sulfonium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: diethyl(4-ethylsulfanylhex-3-en-3-yl)sulfanium; 2,4,6-trinitrobenzenesulfonate Traditional Name: diethyl-[1-ethyl-2-(ethylthio)but-1-enyl]sulfonium; 2,4,6-trinitrobesylate Formula: C18H27N3O9S3 MolecularWeight: 525.61668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25S2.C6H3N3O9S/c1-6-11(13-8-3)12(7-2)14(9-4)10-5;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h6-10H2,1-5H3;1-2H,(H,16,17,18)/q+1;/p-1