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

Systemtic Name: 5-chloranyl-N-(5-chloranylpentyl)-N-methyl-pentan-1-amine; 2,4,6-trinitrobenzenesulfonic acid Openeye Name: 5-chloro-N-(5-chloropentyl)-N-methyl-pentan-1-amine; 2,4,6-trinitrobenzenesulfonic acid CAS Name: 5-chloro-N-(5-chloropentyl)-N-methyl-1-pentanamine; 2,4,6-trinitrobenzenesulfonic acid IUPAC Name: 5-chloro-N-(5-chloropentyl)-N-methylpentan-1-amine; 2,4,6-trinitrobenzenesulfonic acid Traditional Name: bis(5-chloropentyl)-methyl-amine; 2,4,6-trinitrobesylic acid Formula: C17H26Cl2N4O9S MolecularWeight: 533.38074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H23Cl2N.C6H3N3O9S/c1-14(10-6-2-4-8-12)11-7-3-5-9-13;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h2-11H2,1H3;1-2H,(H,16,17,18)