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

Systemtic Name: 2,4,6-tris(2,4,6-trinitrophenyl)-1,3,5-triazine Openeye Name: 2,4,6-tris(2,4,6-trinitrophenyl)-1,3,5-triazine CAS Name: 2,4,6-tris(2,4,6-trinitrophenyl)-1,3,5-triazine IUPAC Name: 2,4,6-tris(2,4,6-trinitrophenyl)-1,3,5-triazine Traditional Name: 2,4,6-tripicryl-s-triazine 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=NC(=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=NC(=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/C21H6N12O18/c34-25(35)7-1-10(28(40)41)16(11(2-7)29(42)43)19-22-20(17-12(30(44)45)3-8(26(36)37)4-13(17)31(46)47)24-21(23-19)18-14(32(48)49)5-9(27(38)39)6-15(18)33(50)51/h1-6H