(2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenyl-pyrrolidine; 2,4,6-trinitrophenol

Systemtic Name: (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenyl-pyrrolidine; 2,4,6-trinitrophenol Openeye Name: (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenyl-pyrrolidine; picric acid CAS Name: (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine; 2,4,6-trinitrophenol IUPAC Name: (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine; 2,4,6-trinitrophenol Traditional Name: (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenyl-pyrrolidine; picric acid Formula: C21H27N4O10P MolecularWeight: 526.433641

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(C(CCN1)C2=CC=CC=C2)C)OCC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOP(=O)([C@@]1([C@@H](CCN1)C2=CC=CC=C2)C)OCC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H24NO3P.C6H3N3O7/c1-4-18-20(17,19-5-2)15(3)14(11-12-16-15)13-9-7-6-8-10-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-10,14,16H,4-5,11-12H2,1-3H3;1-2,10H/t14-,15+;/m0./s1