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

Systemtic Name: 5-nitro-2-[2-(4-nitro-2-sulfonato-phenyl)ethynyl]benzenesulfonate Openeye Name: 5-nitro-2-[2-(4-nitro-2-sulfonato-phenyl)ethynyl]benzenesulfonate CAS Name: 5-nitro-2-[2-(4-nitro-2-sulfonatophenyl)ethynyl]benzenesulfonate IUPAC Name: 5-nitro-2-[2-(4-nitro-2-sulfonatophenyl)ethynyl]benzenesulfonate Traditional Name: 5-nitro-2-[2-(4-nitro-2-sulfonato-phenyl)ethynyl]besylate Formula: C14H6N2O10S2-2 MolecularWeight: 426.33484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])C#CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])C#CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C14H8N2O10S2/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26/h3-8H,(H,21,22,23)(H,24,25,26)/p-2