2-[3,3-bis(fluoranyl)cyclopentyl]-2-oxidanyl-2-phenyl-ethanoate; (E)-but-2-enedioate

Systemtic Name: 2-[3,3-bis(fluoranyl)cyclopentyl]-2-oxidanyl-2-phenyl-ethanoate; (E)-but-2-enedioate Openeye Name: (E)-but-2-enedioate; 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenyl-acetate CAS Name: (E)-2-butenedioate; 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate IUPAC Name: (E)-but-2-enedioate; 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate Traditional Name: 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenyl-acetate fumarate Formula: C17H15F2O7-3 MolecularWeight: 369.293606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F2O3.C4H4O4/c14-12(15)7-6-10(8-12)13(18,11(16)17)9-4-2-1-3-5-9;5-3(6)1-2-4(7)8/h1-5,10,18H,6-8H2,(H,16,17);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+