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

Systemtic Name: 1,2,4-trinitro-3,5,6-tris(2,4,6-trinitrophenyl)benzene Openeye Name: 1,2,4-trinitro-3,5,6-tris(2,4,6-trinitrophenyl)benzene CAS Name: 1,2,4-trinitro-3,5,6-tris(2,4,6-trinitrophenyl)benzene IUPAC Name: 1,2,4-trinitro-3,5,6-tris(2,4,6-trinitrophenyl)benzene Traditional Name: 1,2,4-trinitro-3,5,6-tripicryl-benzene Formula: C24H6N12O24 MolecularWeight: 846.37044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])C2=C(C(=C(C(=C2[N+](=O)[O-])C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[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(C(=C(C(=C2[N+](=O)[O-])C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[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/C24H6N12O24/c37-25(38)7-1-10(28(43)44)16(11(2-7)29(45)46)19-20(17-12(30(47)48)3-8(26(39)40)4-13(17)31(49)50)23(35(57)58)24(36(59)60)21(22(19)34(55)56)18-14(32(51)52)5-9(27(41)42)6-15(18)33(53)54/h1-6H