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

Systemtic Name: (2R)-1-[[5,7-diacetyloxy-3-(4-fluoranylphenoxy)-4-oxidanylidene-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[[5,7-diacetoxy-3-(4-fluorophenoxy)-4-oxo-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[5,7-diacetyloxy-3-(4-fluorophenoxy)-4-oxo-1-benzopyran-8-yl]methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-[[5,7-diacetyloxy-3-(4-fluorophenoxy)-4-oxochromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[5,7-diacetoxy-3-(4-fluorophenoxy)-4-keto-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Formula: C25H22FNO9 MolecularWeight: 499.441883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C2=C1C(=O)C(=CO2)OC3=CC=C(C=C3)F)C[NH+]4CCCC4C(=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC(=C(C2=C1C(=O)C(=CO2)OC3=CC=C(C=C3)F)C[NH+]4CCC[C@@H]4C(=O)[O-])OC(=O)C

InChI

InChI=1S/C25H22FNO9/c1-13(28)34-19-10-20(35-14(2)29)22-23(30)21(36-16-7-5-15(26)6-8-16)12-33-24(22)17(19)11-27-9-3-4-18(27)25(31)32/h5-8,10,12,18H,3-4,9,11H2,1-2H3,(H,31,32)/t18-/m1/s1