2-[2-[bis(2-hydroxyethyl)sulfonio]ethylsulfanyl]ethyl-bis(2-hydroxyethyl)sulfanium; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: 2-[2-[bis(2-hydroxyethyl)sulfonio]ethylsulfanyl]ethyl-bis(2-hydroxyethyl)sulfanium; 2,4,6-trinitrobenzenesulfonate Openeye Name: 2-[2-[bis(2-hydroxyethyl)sulfonio]ethylsulfanyl]ethyl-bis(2-hydroxyethyl)sulfonium; 2,4,6-trinitrobenzenesulfonate CAS Name: 2-[2-[bis(2-hydroxyethyl)sulfonio]ethylthio]ethyl-bis(2-hydroxyethyl)sulfonium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: 2-[2-[bis(2-hydroxyethyl)sulfonio]ethylsulfanyl]ethyl-bis(2-hydroxyethyl)sulfanium; 2,4,6-trinitrobenzenesulfonate Traditional Name: 2-[2-[bis(2-hydroxyethyl)sulfonio]ethylthio]ethyl-bis(2-hydroxyethyl)sulfonium; 2,4,6-trinitrobesylate Formula: C24H32N6O22S5 MolecularWeight: 916.86288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H28O4S3.2C6H3N3O9S/c13-1-7-18(8-2-14)11-5-17-6-12-19(9-3-15)10-4-16;2*10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h13-16H,1-12H2;2*1-2H,(H,16,17,18)/q+2;;/p-2