2-phenyl-2-[3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy-ethanesulfonic acid

Systemtic Name: 2-phenyl-2-[3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy-ethanesulfonic acid Openeye Name: 2-phenyl-2-(3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl)oxy-ethanesulfonic acid CAS Name: 2-phenyl-2-(3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropoxy)ethanesulfonic acid IUPAC Name: 2-phenyl-2-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxyethanesulfonic acid Traditional Name: 2-phenyl-2-(3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl)oxy-ethanesulfonic acid Formula: C18H17F3O6S MolecularWeight: 418.38419

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)(C(=O)OC(CS(=O)(=O)O)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

COC(C1=CC=CC=C1)(C(=O)OC(CS(=O)(=O)O)C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H17F3O6S/c1-26-17(18(19,20)21,14-10-6-3-7-11-14)16(22)27-15(12-28(23,24)25)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H,23,24,25)