1,5-bis[(4-methyl-3-nitro-phenyl)sulfonyl]-3-nitro-7-nitroso-1,3,5,7-tetrazocane

Systemtic Name: 1,5-bis[(4-methyl-3-nitro-phenyl)sulfonyl]-3-nitro-7-nitroso-1,3,5,7-tetrazocane Openeye Name: 1,5-bis[(4-methyl-3-nitro-phenyl)sulfonyl]-3-nitro-7-nitroso-1,3,5,7-tetrazocane CAS Name: 1,5-bis[(4-methyl-3-nitrophenyl)sulfonyl]-3-nitro-7-nitroso-1,3,5,7-tetrazocane IUPAC Name: 1,5-bis[(4-methyl-3-nitrophenyl)sulfonyl]-3-nitro-7-nitroso-1,3,5,7-tetrazocane Traditional Name: 1,5-bis[(4-methyl-3-nitro-phenyl)sulfonyl]-3-nitro-7-nitroso-1,3,5,7-tetrazocane Formula: C18H20N8O11S2 MolecularWeight: 588.5284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CN(CN(CN(C2)[N+](=O)[O-])S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])N=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CN(CN(CN(C2)[N+](=O)[O-])S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])N=O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N8O11S2/c1-13-3-5-15(7-17(13)24(28)29)38(34,35)22-9-20(19-27)10-23(12-21(11-22)26(32)33)39(36,37)16-6-4-14(2)18(8-16)25(30)31/h3-8H,9-12H2,1-2H3