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

Systemtic Name: phenyl 5-nitro-2-[2-(4-nitro-2-phenoxysulfonyl-phenyl)ethynyl]benzenesulfonate Openeye Name: phenyl 5-nitro-2-[2-(4-nitro-2-phenoxysulfonyl-phenyl)ethynyl]benzenesulfonate CAS Name: 5-nitro-2-[2-(4-nitro-2-phenoxysulfonylphenyl)ethynyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-nitro-2-[2-(4-nitro-2-phenoxysulfonylphenyl)ethynyl]benzenesulfonate Traditional Name: 5-nitro-2-[2-(4-nitro-2-phenoxysulfonyl-phenyl)ethynyl]benzenesulfonic acid phenyl ester Formula: C26H16N2O10S2 MolecularWeight: 580.54264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C#CC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C#CC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H16N2O10S2/c29-27(30)21-15-13-19(25(17-21)39(33,34)37-23-7-3-1-4-8-23)11-12-20-14-16-22(28(31)32)18-26(20)40(35,36)38-24-9-5-2-6-10-24/h1-10,13-18H