N-(4-chloranylbutyl)-N-(2-chloroethyl)-3-methyl-butan-1-amine; 2,4,6-trinitrobenzenesulfonic acid

Systemtic Name: N-(4-chloranylbutyl)-N-(2-chloroethyl)-3-methyl-butan-1-amine; 2,4,6-trinitrobenzenesulfonic acid Openeye Name: N-(4-chlorobutyl)-N-(2-chloroethyl)-3-methyl-butan-1-amine; 2,4,6-trinitrobenzenesulfonic acid CAS Name: N-(4-chlorobutyl)-N-(2-chloroethyl)-3-methyl-1-butanamine; 2,4,6-trinitrobenzenesulfonic acid IUPAC Name: N-(4-chlorobutyl)-N-(2-chloroethyl)-3-methylbutan-1-amine; 2,4,6-trinitrobenzenesulfonic acid Traditional Name: 4-chlorobutyl-(2-chloroethyl)-isoamyl-amine; 2,4,6-trinitrobesylic acid Formula: C17H26Cl2N4O9S MolecularWeight: 533.38074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H23Cl2N.C6H3N3O9S/c1-11(2)5-9-14(10-7-13)8-4-3-6-12;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h11H,3-10H2,1-2H3;1-2H,(H,16,17,18)