2-methyl-4-(3-methyl-2,4,6-trinitro-phenyl)-1,3,5-trinitro-benzene

Systemtic Name: 2-methyl-4-(3-methyl-2,4,6-trinitro-phenyl)-1,3,5-trinitro-benzene Openeye Name: 2-methyl-4-(3-methyl-2,4,6-trinitro-phenyl)-1,3,5-trinitro-benzene CAS Name: 2-methyl-4-(3-methyl-2,4,6-trinitrophenyl)-1,3,5-trinitrobenzene IUPAC Name: 2-methyl-4-(3-methyl-2,4,6-trinitrophenyl)-1,3,5-trinitrobenzene Traditional Name: 2-methyl-4-(3-methyl-2,4,6-trinitro-phenyl)-1,3,5-trinitro-benzene Formula: C14H8N6O12 MolecularWeight: 452.24632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1[N+](=O)[O-])C2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1[N+](=O)[O-])C2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H8N6O12/c1-5-7(15(21)22)3-9(17(25)26)11(13(5)19(29)30)12-10(18(27)28)4-8(16(23)24)6(2)14(12)20(31)32/h3-4H,1-2H3