1,5-dinitro-3,7-bis[(3-nitrophenyl)sulfonyl]-1,3,5,7-tetrazocane

Systemtic Name: 1,5-dinitro-3,7-bis[(3-nitrophenyl)sulfonyl]-1,3,5,7-tetrazocane Openeye Name: 1,5-dinitro-3,7-bis[(3-nitrophenyl)sulfonyl]-1,3,5,7-tetrazocane CAS Name: 1,5-dinitro-3,7-bis[(3-nitrophenyl)sulfonyl]-1,3,5,7-tetrazocane IUPAC Name: 1,5-dinitro-3,7-bis[(3-nitrophenyl)sulfonyl]-1,3,5,7-tetrazocane Traditional Name: 1,5-dinitro-3,7-bis[(3-nitrophenyl)sulfonyl]-1,3,5,7-tetrazocane Formula: C16H16N8O12S2 MolecularWeight: 576.47464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N8O12S2/c25-21(26)13-3-1-5-15(7-13)37(33,34)19-9-17(23(29)30)11-20(12-18(10-19)24(31)32)38(35,36)16-6-2-4-14(8-16)22(27)28/h1-8H,9-12H2