2-methyl-1,3,5-trinitro-benzene; 1,3,5,7-tetranitro-1,3,5,7-tetrazocane

Systemtic Name: 2-methyl-1,3,5-trinitro-benzene; 1,3,5,7-tetranitro-1,3,5,7-tetrazocane Openeye Name: 2-methyl-1,3,5-trinitro-benzene; 1,3,5,7-tetranitro-1,3,5,7-tetrazocane CAS Name: 2-methyl-1,3,5-trinitrobenzene; 1,3,5,7-tetranitro-1,3,5,7-tetrazocane IUPAC Name: 2-methyl-1,3,5-trinitrobenzene; 1,3,5,7-tetranitro-1,3,5,7-tetrazocane Traditional Name: 2-methyl-1,3,5-trinitro-benzene; 1,3,5,7-tetranitro-1,3,5,7-tetrazocane Formula: C11H13N11O14 MolecularWeight: 523.28622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H5N3O6.C4H8N8O8/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16;13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h2-3H,1H3;1-4H2