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

Systemtic Name: 1,5-bis[(4-bromophenyl)sulfonyl]-3-nitro-7-nitroso-1,3,5,7-tetrazocane Openeye Name: 1,5-bis[(4-bromophenyl)sulfonyl]-3-nitro-7-nitroso-1,3,5,7-tetrazocane CAS Name: 1,5-bis[(4-bromophenyl)sulfonyl]-3-nitro-7-nitroso-1,3,5,7-tetrazocane IUPAC Name: 1,5-bis[(4-bromophenyl)sulfonyl]-3-nitro-7-nitroso-1,3,5,7-tetrazocane Traditional Name: 1,5-dibrosyl-3-nitro-7-nitroso-1,3,5,7-tetrazocane Formula: C16H16Br2N6O7S2 MolecularWeight: 628.27224

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CN(CN(CN1S(=O)(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Br)N=O

Isomeric SMILES

C1N(CN(CN(CN1S(=O)(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Br)N=O

InChI

InChI=1S/C16H16Br2N6O7S2/c17-13-1-5-15(6-2-13)32(28,29)22-9-20(19-25)10-23(12-21(11-22)24(26)27)33(30,31)16-7-3-14(18)4-8-16/h1-8H,9-12H2