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3-[3-diethoxyphosphoryl-4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid

3-[3-diethoxyphosphoryl-4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid

Systemtic Name:3-[3-diethoxyphosphoryl-4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid
Openeye Name:3-[3-diethoxyphosphoryl-4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid
CAS Name:3-[3-diethoxyphosphoryl-4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid
IUPAC Name:3-[3-diethoxyphosphoryl-4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid
Traditional Name:3-(3-diethoxyphosphoryl-4-triflyloxy-phenyl)propionic acid
Formula: C14H18F3O8PS
MolecularWeight: 434.321891
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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C=CC(=C1)CCC(=O)O)OS(=O)(=O)C(F)(F)F)OCC


Isomeric SMILES

CCOP(=O)(C1=C(C=CC(=C1)CCC(=O)O)OS(=O)(=O)C(F)(F)F)OCC


InChI

InChI=1S/C14H18F3O8PS/c1-3-23-26(20,24-4-2)12-9-10(6-8-13(18)19)5-7-11(12)25-27(21,22)14(15,16)17/h5,7,9H,3-4,6,8H2,1-2H3,(H,18,19)


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