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

Systemtic Name: 2-(2-chloroethylsulfanyl)ethyl-(2-hydroxyethyl)-methyl-sulfanium; 2,4,6-trinitrobenzenesulfonate Openeye Name: 2-(2-chloroethylsulfanyl)ethyl-(2-hydroxyethyl)-methyl-sulfonium; 2,4,6-trinitrobenzenesulfonate CAS Name: 2-(2-chloroethylthio)ethyl-(2-hydroxyethyl)-methylsulfonium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: 2-(2-chloroethylsulfanyl)ethyl-(2-hydroxyethyl)-methylsulfanium; 2,4,6-trinitrobenzenesulfonate Traditional Name: 2-(2-chloroethylthio)ethyl-(2-hydroxyethyl)-methyl-sulfonium; 2,4,6-trinitrobesylate Formula: C13H18ClN3O10S3 MolecularWeight: 507.94412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H16ClOS2.C6H3N3O9S/c1-11(6-3-9)7-5-10-4-2-8;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h9H,2-7H2,1H3;1-2H,(H,16,17,18)/q+1;/p-1