2,4,6-tris(2,4,6-trinitrophenyl)pyrimidine

Systemtic Name: 2,4,6-tris(2,4,6-trinitrophenyl)pyrimidine Openeye Name: 2,4,6-tris(2,4,6-trinitrophenyl)pyrimidine CAS Name: 2,4,6-tris(2,4,6-trinitrophenyl)pyrimidine IUPAC Name: 2,4,6-tris(2,4,6-trinitrophenyl)pyrimidine Traditional Name: 2,4,6-tripicrylpyrimidine Formula: C22H7N11O18 MolecularWeight: 713.35388

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])C2=CC(=NC(=N2)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])C2=CC(=NC(=N2)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H7N11O18/c34-25(35)8-1-13(28(40)41)19(14(2-8)29(42)43)11-7-12(20-15(30(44)45)3-9(26(36)37)4-16(20)31(46)47)24-22(23-11)21-17(32(48)49)5-10(27(38)39)6-18(21)33(50)51/h1-7H