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

Systemtic Name: 1,5-bis[(4-methyl-3-nitro-phenyl)sulfonyl]-3,7-dinitro-1,3,5,7-tetrazocane Openeye Name: 1,5-bis[(4-methyl-3-nitro-phenyl)sulfonyl]-3,7-dinitro-1,3,5,7-tetrazocane CAS Name: 1,5-bis[(4-methyl-3-nitrophenyl)sulfonyl]-3,7-dinitro-1,3,5,7-tetrazocane IUPAC Name: 1,5-bis[(4-methyl-3-nitrophenyl)sulfonyl]-3,7-dinitro-1,3,5,7-tetrazocane Traditional Name: 1,5-bis[(4-methyl-3-nitro-phenyl)sulfonyl]-3,7-dinitro-1,3,5,7-tetrazocane Formula: C18H20N8O12S2 MolecularWeight: 604.5278

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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)[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)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N8O12S2/c1-13-3-5-15(7-17(13)23(27)28)39(35,36)21-9-19(25(31)32)11-22(12-20(10-21)26(33)34)40(37,38)16-6-4-14(2)18(8-16)24(29)30/h3-8H,9-12H2,1-2H3