bis(2-chloroethyl)-methyl-azanium; 2,4,6-trinitrophenolate

Systemtic Name: bis(2-chloroethyl)-methyl-azanium; 2,4,6-trinitrophenolate Openeye Name: bis(2-chloroethyl)-methyl-ammonium; 2,4,6-trinitrophenolate CAS Name: bis(2-chloroethyl)-methylammonium; 2,4,6-trinitrophenolate IUPAC Name: bis(2-chloroethyl)-methylazanium; 2,4,6-trinitrophenolate Traditional Name: bis(2-chloroethyl)-methyl-ammonium picrate Formula: C11H14Cl2N4O7 MolecularWeight: 385.15746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCl)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+](CCCl)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O7.C5H11Cl2N/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-8(4-2-6)5-3-7/h1-2,10H;2-5H2,1H3