bis(3-chloranylpropyl)-methyl-azanium; 2,4,6-trinitrophenolate

Systemtic Name: bis(3-chloranylpropyl)-methyl-azanium; 2,4,6-trinitrophenolate Openeye Name: bis(3-chloropropyl)-methyl-ammonium; 2,4,6-trinitrophenolate CAS Name: bis(3-chloropropyl)-methylammonium; 2,4,6-trinitrophenolate IUPAC Name: bis(3-chloropropyl)-methylazanium; 2,4,6-trinitrophenolate Traditional Name: bis(3-chloropropyl)-methyl-ammonium picrate Formula: C13H18Cl2N4O7 MolecularWeight: 413.21062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15Cl2N.C6H3N3O7/c1-10(6-2-4-8)7-3-5-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7H2,1H3;1-2,10H