2-diethoxyphosphorylpropan-2-amine; 2,4,6-trinitrophenol

Systemtic Name: 2-diethoxyphosphorylpropan-2-amine; 2,4,6-trinitrophenol Openeye Name: 2-diethoxyphosphorylpropan-2-amine; picric acid CAS Name: 2-diethoxyphosphoryl-2-propanamine; 2,4,6-trinitrophenol IUPAC Name: 2-diethoxyphosphorylpropan-2-amine; 2,4,6-trinitrophenol Traditional Name: (1-diethoxyphosphoryl-1-methyl-ethyl)amine; picric acid Formula: C13H21N4O10P MolecularWeight: 424.300401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C)(C)N)OCC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOP(=O)(C(C)(C)N)OCC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H18NO3P.C6H3N3O7/c1-5-10-12(9,11-6-2)7(3,4)8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-6,8H2,1-4H3;1-2,10H