(2R)-1-[[3-(4-fluorophenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-[[3-(4-fluorophenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-oxo-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-8-yl]methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-oxochromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-keto-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Formula: C21H18FNO6 MolecularWeight: 399.369123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C(C=C(C3=C2OC=C(C3=O)C4=CC=C(C=C4)F)O)O)C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=C(C=C(C3=C2OC=C(C3=O)C4=CC=C(C=C4)F)O)O)C(=O)[O-]

InChI

InChI=1S/C21H18FNO6/c22-12-5-3-11(4-6-12)14-10-29-20-13(9-23-7-1-2-15(23)21(27)28)16(24)8-17(25)18(20)19(14)26/h3-6,8,10,15,24-25H,1-2,7,9H2,(H,27,28)/t15-/m1/s1