2-[2-chloroethyl(ethyl)amino]ethanol; 2,4,6-trinitrobenzenesulfonic acid

Systemtic Name: 2-[2-chloroethyl(ethyl)amino]ethanol; 2,4,6-trinitrobenzenesulfonic acid Openeye Name: 2-[2-chloroethyl(ethyl)amino]ethanol; 2,4,6-trinitrobenzenesulfonic acid CAS Name: 2-[2-chloroethyl(ethyl)amino]ethanol; 2,4,6-trinitrobenzenesulfonic acid IUPAC Name: 2-[2-chloroethyl(ethyl)amino]ethanol; 2,4,6-trinitrobenzenesulfonic acid Traditional Name: 2-[2-chloroethyl(ethyl)amino]ethanol; 2,4,6-trinitrobesylic acid Formula: C12H17ClN4O10S MolecularWeight: 444.80218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14ClNO.C6H3N3O9S/c1-2-8(4-3-7)5-6-9;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h9H,2-6H2,1H3;1-2H,(H,16,17,18)