3,5-bis[4-(trifluoromethylsulfonyl)phenoxy]benzoic acid

Systemtic Name: 3,5-bis[4-(trifluoromethylsulfonyl)phenoxy]benzoic acid Openeye Name: 3,5-bis[4-(trifluoromethylsulfonyl)phenoxy]benzoic acid CAS Name: 3,5-bis[4-(trifluoromethylsulfonyl)phenoxy]benzoic acid IUPAC Name: 3,5-bis[4-(trifluoromethylsulfonyl)phenoxy]benzoic acid Traditional Name: 3,5-bis(4-triflylphenoxy)benzoic acid Formula: C21H12F6O8S2 MolecularWeight: 570.435599

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC(=CC(=C2)C(=O)O)OC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1OC2=CC(=CC(=C2)C(=O)O)OC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H12F6O8S2/c22-20(23,24)36(30,31)17-5-1-13(2-6-17)34-15-9-12(19(28)29)10-16(11-15)35-14-3-7-18(8-4-14)37(32,33)21(25,26)27/h1-11H,(H,28,29)