N,N',N'-triethyl-N-methyl-propane-1,3-diamine; 2,4,6-trinitrophenol

Systemtic Name: N,N',N'-triethyl-N-methyl-propane-1,3-diamine; 2,4,6-trinitrophenol Openeye Name: picric acid; N,N',N'-triethyl-N-methyl-propane-1,3-diamine CAS Name: N,N',N'-triethyl-N-methylpropane-1,3-diamine; 2,4,6-trinitrophenol IUPAC Name: N,N',N'-triethyl-N-methylpropane-1,3-diamine; 2,4,6-trinitrophenol Traditional Name: diethyl-[3-[ethyl(methyl)amino]propyl]amine; picric acid Formula: C22H30N8O14 MolecularWeight: 630.5188

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)CCCN(CC)CC.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

CCN(C)CCCN(CC)CC.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/C10H24N2.2C6H3N3O7/c1-5-11(4)9-8-10-12(6-2)7-3;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-10H2,1-4H3;2*1-2,10H