1,5-bis[(4-nitrophenyl)sulfonyl]-1,5-diazocane-3,7-diol

Systemtic Name: 1,5-bis[(4-nitrophenyl)sulfonyl]-1,5-diazocane-3,7-diol Openeye Name: 1,5-bis[(4-nitrophenyl)sulfonyl]-1,5-diazocane-3,7-diol CAS Name: 1,5-bis[(4-nitrophenyl)sulfonyl]-1,5-diazocane-3,7-diol IUPAC Name: 1,5-bis[(4-nitrophenyl)sulfonyl]-1,5-diazocane-3,7-diol Traditional Name: 1,5-dinosyl-1,5-diazocane-3,7-diol Formula: C18H20N4O10S2 MolecularWeight: 516.5022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O10S2/c23-15-9-19(33(29,30)17-5-1-13(2-6-17)21(25)26)10-16(24)12-20(11-15)34(31,32)18-7-3-14(4-8-18)22(27)28/h1-8,15-16,23-24H,9-12H2