2,4,5-tris(2,4,6-trinitrophenyl)pyrimidine

Systemtic Name: 2,4,5-tris(2,4,6-trinitrophenyl)pyrimidine Openeye Name: 2,4,5-tris(2,4,6-trinitrophenyl)pyrimidine CAS Name: 2,4,5-tris(2,4,6-trinitrophenyl)pyrimidine IUPAC Name: 2,4,5-tris(2,4,6-trinitrophenyl)pyrimidine Traditional Name: 2,4,5-tripicrylpyrimidine Formula: C22H7N11O18 MolecularWeight: 713.35388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])C2=CN=C(N=C2C3=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=CN=C(N=C2C3=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)8-1-12(28(40)41)18(13(2-8)29(42)43)11-7-23-22(20-16(32(48)49)5-10(27(38)39)6-17(20)33(50)51)24-21(11)19-14(30(44)45)3-9(26(36)37)4-15(19)31(46)47/h1-7H