2-[3,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]ethanoic acid

Systemtic Name: 2-[3,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]ethanoic acid Openeye Name: 2-[3,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]acetic acid CAS Name: 2-[3,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]acetic acid IUPAC Name: 2-[3,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]acetic acid Traditional Name: 2-[3,5-bis(2-nitro-4-triflyl-phenoxy)phenyl]acetic acid Formula: C22H12F6N2O12S2 MolecularWeight: 674.457299

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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(=CC(=C2)CC(=O)O)OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OC2=CC(=CC(=C2)CC(=O)O)OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H12F6N2O12S2/c23-21(24,25)43(37,38)14-1-3-18(16(9-14)29(33)34)41-12-5-11(7-20(31)32)6-13(8-12)42-19-4-2-15(10-17(19)30(35)36)44(39,40)22(26,27)28/h1-6,8-10H,7H2,(H,31,32)