diethyl(1-ethylsulfanylpentan-2-yl)sulfanium; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: diethyl(1-ethylsulfanylpentan-2-yl)sulfanium; 2,4,6-trinitrobenzenesulfonate Openeye Name: diethyl-[1-(ethylsulfanylmethyl)butyl]sulfonium; 2,4,6-trinitrobenzenesulfonate CAS Name: diethyl-[1-(ethylthio)pentan-2-yl]sulfonium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: diethyl(1-ethylsulfanylpentan-2-yl)sulfanium; 2,4,6-trinitrobenzenesulfonate Traditional Name: diethyl-[1-[(ethylthio)methyl]butyl]sulfonium; 2,4,6-trinitrobesylate Formula: C17H27N3O9S3 MolecularWeight: 513.60598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H25S2.C6H3N3O9S/c1-5-9-11(10-12-6-2)13(7-3)8-4;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h11H,5-10H2,1-4H3;1-2H,(H,16,17,18)/q+1;/p-1