2,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]terephthalic acid

Systemtic Name: 2,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]terephthalic acid Openeye Name: 2,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]terephthalic acid CAS Name: 2,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]terephthalic acid IUPAC Name: 2,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]terephthalic acid Traditional Name: 2,5-bis(2-nitro-4-triflyl-phenoxy)terephthalic acid Formula: C22H10F6N2O14S2 MolecularWeight: 704.440219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OC2=CC(=C(C=C2C(=O)O)OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OC2=CC(=C(C=C2C(=O)O)OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H10F6N2O14S2/c23-21(24,25)45(39,40)9-1-3-15(13(5-9)29(35)36)43-17-7-12(20(33)34)18(8-11(17)19(31)32)44-16-4-2-10(6-14(16)30(37)38)46(41,42)22(26,27)28/h1-8H,(H,31,32)(H,33,34)