N-butyl-4-chloranyl-N-(2-chloroethyl)butan-1-amine; 2,4,6-trinitrobenzenesulfonic acid

Systemtic Name: N-butyl-4-chloranyl-N-(2-chloroethyl)butan-1-amine; 2,4,6-trinitrobenzenesulfonic acid Openeye Name: N-butyl-4-chloro-N-(2-chloroethyl)butan-1-amine; 2,4,6-trinitrobenzenesulfonic acid CAS Name: N-butyl-4-chloro-N-(2-chloroethyl)-1-butanamine; 2,4,6-trinitrobenzenesulfonic acid IUPAC Name: N-butyl-4-chloro-N-(2-chloroethyl)butan-1-amine; 2,4,6-trinitrobenzenesulfonic acid Traditional Name: butyl-(4-chlorobutyl)-(2-chloroethyl)amine; 2,4,6-trinitrobesylic acid Formula: C16H24Cl2N4O9S MolecularWeight: 519.35416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCCCl)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCCCl)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H21Cl2N.C6H3N3O9S/c1-2-3-8-13(10-7-12)9-5-4-6-11;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h2-10H2,1H3;1-2H,(H,16,17,18)