7,7-dinitro-1,5-bis[(4-nitrophenyl)sulfonyl]-1,5-diazocan-3-one; ethene

Systemtic Name: 7,7-dinitro-1,5-bis[(4-nitrophenyl)sulfonyl]-1,5-diazocan-3-one; ethene Openeye Name: 7,7-dinitro-1,5-bis[(4-nitrophenyl)sulfonyl]-1,5-diazocan-3-one; ethylene CAS Name: 7,7-dinitro-1,5-bis[(4-nitrophenyl)sulfonyl]-1,5-diazocan-3-one; ethene IUPAC Name: 7,7-dinitro-1,5-bis[(4-nitrophenyl)sulfonyl]-1,5-diazocan-3-one; ethene Traditional Name: 7,7-dinitro-1,5-dinosyl-1,5-diazocan-3-one; ethylene Formula: C20H20N6O13S2 MolecularWeight: 616.5352

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Descriptors Computed from Structure

Canonical SMILES:

C=C.C1C(=O)CN(CC(CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=C.C1C(=O)CN(CC(CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O13S2.C2H4/c25-15-9-19(38(34,35)16-5-1-13(2-6-16)21(26)27)11-18(23(30)31,24(32)33)12-20(10-15)39(36,37)17-7-3-14(4-8-17)22(28)29;1-2/h1-8H,9-12H2;1-2H2