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

Systemtic Name: 7,7-dinitro-1,5-bis[(4-nitrophenyl)sulfonyl]-1,5-diazocan-3-one Openeye Name: 7,7-dinitro-1,5-bis[(4-nitrophenyl)sulfonyl]-1,5-diazocan-3-one CAS Name: 7,7-dinitro-1,5-bis[(4-nitrophenyl)sulfonyl]-1,5-diazocan-3-one IUPAC Name: 7,7-dinitro-1,5-bis[(4-nitrophenyl)sulfonyl]-1,5-diazocan-3-one Traditional Name: 7,7-dinitro-1,5-dinosyl-1,5-diazocan-3-one Formula: C18H16N6O13S2 MolecularWeight: 588.48204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

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/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/h1-8H,9-12H2