5-chloranyl-N-(2-chloroethyl)-N-methyl-pentan-1-amine; 2,4,6-trinitrobenzenesulfonic acid

Systemtic Name: 5-chloranyl-N-(2-chloroethyl)-N-methyl-pentan-1-amine; 2,4,6-trinitrobenzenesulfonic acid Openeye Name: 5-chloro-N-(2-chloroethyl)-N-methyl-pentan-1-amine; 2,4,6-trinitrobenzenesulfonic acid CAS Name: 5-chloro-N-(2-chloroethyl)-N-methyl-1-pentanamine; 2,4,6-trinitrobenzenesulfonic acid IUPAC Name: 5-chloro-N-(2-chloroethyl)-N-methylpentan-1-amine; 2,4,6-trinitrobenzenesulfonic acid Traditional Name: 2-chloroethyl-(5-chloropentyl)-methyl-amine; 2,4,6-trinitrobesylic acid Formula: C14H20Cl2N4O9S MolecularWeight: 491.301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCl)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CCCCCCl)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H17Cl2N.C6H3N3O9S/c1-11(8-6-10)7-4-2-3-5-9;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h2-8H2,1H3;1-2H,(H,16,17,18)