bis(2-chloroethyl)-[2-[ethyl(phenyl)azaniumyl]ethyl]azanium; 2,4,6-trinitrophenolate

Systemtic Name: bis(2-chloroethyl)-[2-[ethyl(phenyl)azaniumyl]ethyl]azanium; 2,4,6-trinitrophenolate Openeye Name: bis(2-chloroethyl)-[2-[ethyl(phenyl)ammonio]ethyl]ammonium; 2,4,6-trinitrophenolate CAS Name: bis(2-chloroethyl)-[2-[ethyl(phenyl)ammonio]ethyl]ammonium; 2,4,6-trinitrophenolate IUPAC Name: bis(2-chloroethyl)-[2-[ethyl(phenyl)azaniumyl]ethyl]azanium; 2,4,6-trinitrophenolate Traditional Name: bis(2-chloroethyl)-[2-[ethyl(phenyl)ammonio]ethyl]ammonium dipicrate Formula: C26H28Cl2N8O14 MolecularWeight: 747.45172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22Cl2N2.2C6H3N3O7/c1-2-18(14-6-4-3-5-7-14)13-12-17(10-8-15)11-9-16;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7H,2,8-13H2,1H3;2*1-2,10H