1,5-bis-(4-methylphenyl)sulfonyl-3,7-dinitro-1,3,5,7-tetrazocane

Systemtic Name: 1,5-bis-(4-methylphenyl)sulfonyl-3,7-dinitro-1,3,5,7-tetrazocane Openeye Name: 1,5-dinitro-3,7-bis(p-tolylsulfonyl)-1,3,5,7-tetrazocane CAS Name: 1,5-bis-(4-methylphenyl)sulfonyl-3,7-dinitro-1,3,5,7-tetrazocane IUPAC Name: 1,5-bis-(4-methylphenyl)sulfonyl-3,7-dinitro-1,3,5,7-tetrazocane Traditional Name: 1,5-dinitro-3,7-ditosyl-1,3,5,7-tetrazocane Formula: C18H22N6O8S2 MolecularWeight: 514.53268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=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-]

Isomeric SMILES

CC1=CC=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-]

InChI

InChI=1S/C18H22N6O8S2/c1-15-3-7-17(8-4-15)33(29,30)21-11-19(23(25)26)13-22(14-20(12-21)24(27)28)34(31,32)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3