2,3,4,5-tetrakis(fluoranyl)-6-(2-oxidanyl-4-pyrrolidin-1-yl-phenyl)carbonyl-benzoic acid

Systemtic Name: 2,3,4,5-tetrakis(fluoranyl)-6-(2-oxidanyl-4-pyrrolidin-1-yl-phenyl)carbonyl-benzoic acid Openeye Name: 2,3,4,5-tetrafluoro-6-(2-hydroxy-4-pyrrolidin-1-yl-benzoyl)benzoic acid CAS Name: 2,3,4,5-tetrafluoro-6-[[2-hydroxy-4-(1-pyrrolidinyl)phenyl]-oxomethyl]benzoic acid IUPAC Name: 2,3,4,5-tetrafluoro-6-(2-hydroxy-4-pyrrolidin-1-ylbenzoyl)benzoic acid Traditional Name: 2,3,4,5-tetrafluoro-6-(2-hydroxy-4-pyrrolidino-benzoyl)benzoic acid Formula: C18H13F4NO4 MolecularWeight: 383.293733

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)C(=O)C3=C(C(=C(C(=C3F)F)F)F)C(=O)O)O

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)C(=O)C3=C(C(=C(C(=C3F)F)F)F)C(=O)O)O

InChI

InChI=1S/C18H13F4NO4/c19-13-11(12(18(26)27)14(20)16(22)15(13)21)17(25)9-4-3-8(7-10(9)24)23-5-1-2-6-23/h3-4,7,24H,1-2,5-6H2,(H,26,27)