2-[1-phenoxy-3-[4-(trifluoromethyl)phenoxy]propan-2-yl]oxysulfonylethanesulfonic acid

Systemtic Name: 2-[1-phenoxy-3-[4-(trifluoromethyl)phenoxy]propan-2-yl]oxysulfonylethanesulfonic acid Openeye Name: 2-[1-(phenoxymethyl)-2-[4-(trifluoromethyl)phenoxy]ethoxy]sulfonylethanesulfonic acid CAS Name: 2-[1-phenoxy-3-[4-(trifluoromethyl)phenoxy]propan-2-yl]oxysulfonylethanesulfonic acid IUPAC Name: 2-[1-phenoxy-3-[4-(trifluoromethyl)phenoxy]propan-2-yl]oxysulfonylethanesulfonic acid Traditional Name: 2-[1-(phenoxymethyl)-2-[4-(trifluoromethyl)phenoxy]ethoxy]sulfonylethanesulfonic acid Formula: C18H19F3O8S2 MolecularWeight: 484.46387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)C(F)(F)F)OS(=O)(=O)CCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)C(F)(F)F)OS(=O)(=O)CCS(=O)(=O)O

InChI

InChI=1S/C18H19F3O8S2/c19-18(20,21)14-6-8-16(9-7-14)28-13-17(12-27-15-4-2-1-3-5-15)29-31(25,26)11-10-30(22,23)24/h1-9,17H,10-13H2,(H,22,23,24)