4-nitro-2-[4-(5-nitro-2-sulfonato-phenyl)butyl]benzenesulfonate

Systemtic Name: 4-nitro-2-[4-(5-nitro-2-sulfonato-phenyl)butyl]benzenesulfonate Openeye Name: 4-nitro-2-[4-(5-nitro-2-sulfonato-phenyl)butyl]benzenesulfonate CAS Name: 4-nitro-2-[4-(5-nitro-2-sulfonatophenyl)butyl]benzenesulfonate IUPAC Name: 4-nitro-2-[4-(5-nitro-2-sulfonatophenyl)butyl]benzenesulfonate Traditional Name: 4-nitro-2-[4-(5-nitro-2-sulfonato-phenyl)butyl]besylate Formula: C16H14N2O10S2-2 MolecularWeight: 458.41976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CCCCC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CCCCC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C16H16N2O10S2/c19-17(20)13-5-7-15(29(23,24)25)11(9-13)3-1-2-4-12-10-14(18(21)22)6-8-16(12)30(26,27)28/h5-10H,1-4H2,(H,23,24,25)(H,26,27,28)/p-2