2-[3,3-bis(fluoranyl)cyclopentyl]-2-oxidanyl-2-phenyl-ethanoate phosphate

Systemtic Name: 2-[3,3-bis(fluoranyl)cyclopentyl]-2-oxidanyl-2-phenyl-ethanoate phosphate Openeye Name: 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenyl-acetate phosphate CAS Name: 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate phosphate IUPAC Name: 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate phosphate Traditional Name: 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenyl-acetate phosphate Formula: C13H13F2O7P-4 MolecularWeight: 350.208687

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1C(C2=CC=CC=C2)(C(=O)[O-])O)(F)F.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1CC(CC1C(C2=CC=CC=C2)(C(=O)[O-])O)(F)F.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C13H14F2O3.H3O4P/c14-12(15)7-6-10(8-12)13(18,11(16)17)9-4-2-1-3-5-9;1-5(2,3)4/h1-5,10,18H,6-8H2,(H,16,17);(H3,1,2,3,4)/p-4