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

Systemtic Name: bis(2-chloroethyl)-ethyl-azanium; 2,4,6-trinitrophenolate Openeye Name: bis(2-chloroethyl)-ethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: bis(2-chloroethyl)-ethylammonium; 2,4,6-trinitrophenolate IUPAC Name: bis(2-chloroethyl)-ethylazanium; 2,4,6-trinitrophenolate Traditional Name: bis(2-chloroethyl)-ethyl-ammonium picrate Formula: C12H16Cl2N4O7 MolecularWeight: 399.18404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13Cl2N.C6H3N3O7/c1-2-9(5-3-7)6-4-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-6H2,1H3;1-2,10H