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

Systemtic Name: 1,5-bis-(4-methylphenyl)sulfonyl-3,7-dinitroso-1,3,5,7-tetrazocane Openeye Name: 1,5-dinitroso-3,7-bis(p-tolylsulfonyl)-1,3,5,7-tetrazocane CAS Name: 1,5-bis-(4-methylphenyl)sulfonyl-3,7-dinitroso-1,3,5,7-tetrazocane IUPAC Name: 1,5-bis-(4-methylphenyl)sulfonyl-3,7-dinitroso-1,3,5,7-tetrazocane Traditional Name: 1,5-dinitroso-3,7-ditosyl-1,3,5,7-tetrazocane Formula: C18H22N6O6S2 MolecularWeight: 482.53388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CN(CN(CN(C2)N=O)S(=O)(=O)C3=CC=C(C=C3)C)N=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CN(CN(CN(C2)N=O)S(=O)(=O)C3=CC=C(C=C3)C)N=O

InChI

InChI=1S/C18H22N6O6S2/c1-15-3-7-17(8-4-15)31(27,28)23-11-21(19-25)13-24(14-22(12-23)20-26)32(29,30)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3