3-[2,2-bis(fluoranyl)-2-phenylmethoxy-ethoxy]propane-1-sulfonate

Systemtic Name: 3-[2,2-bis(fluoranyl)-2-phenylmethoxy-ethoxy]propane-1-sulfonate Openeye Name: 3-(2-benzyloxy-2,2-difluoro-ethoxy)propane-1-sulfonate CAS Name: 3-(2,2-difluoro-2-phenylmethoxyethoxy)-1-propanesulfonate IUPAC Name: 3-(2,2-difluoro-2-phenylmethoxyethoxy)propane-1-sulfonate Traditional Name: 3-(2-benzoxy-2,2-difluoro-ethoxy)propane-1-sulfonate Formula: C12H15F2O5S- MolecularWeight: 309.306306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(COCCCS(=O)(=O)[O-])(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(COCCCS(=O)(=O)[O-])(F)F

InChI

InChI=1S/C12H16F2O5S/c13-12(14,10-18-7-4-8-20(15,16)17)19-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,15,16,17)/p-1