4,5,6-tris(2,4,6-trinitrophenyl)-1,2,3-triazine

Systemtic Name: 4,5,6-tris(2,4,6-trinitrophenyl)-1,2,3-triazine Openeye Name: 4,5,6-tris(2,4,6-trinitrophenyl)triazine CAS Name: 4,5,6-tris(2,4,6-trinitrophenyl)triazine IUPAC Name: 4,5,6-tris(2,4,6-trinitrophenyl)triazine Traditional Name: 4,5,6-tripicryltriazine Formula: C21H6N12O18 MolecularWeight: 714.34194

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])C2=C(N=NN=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=C(N=NN=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/C21H6N12O18/c34-25(35)7-1-10(28(40)41)16(11(2-7)29(42)43)19-20(17-12(30(44)45)3-8(26(36)37)4-13(17)31(46)47)22-24-23-21(19)18-14(32(48)49)5-9(27(38)39)6-15(18)33(50)51/h1-6H