2-[[4,7-dimethoxy-5-(1-oxidanyl-3-phenyl-propyl)-1-benzofuran-6-yl]oxy]ethyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-[[4,7-dimethoxy-5-(1-oxidanyl-3-phenyl-propyl)-1-benzofuran-6-yl]oxy]ethyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 2-[5-(1-hydroxy-3-phenyl-propyl)-4,7-dimethoxy-benzofuran-6-yl]oxyethyl-dimethyl-ammonium CAS Name: 2-hydroxy-2-oxoacetate; 2-[[5-(1-hydroxy-3-phenylpropyl)-4,7-dimethoxy-6-benzofuranyl]oxy]ethyl-dimethylammonium IUPAC Name: 2-hydroxy-2-oxoacetate; 2-[[5-(1-hydroxy-3-phenylpropyl)-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium Traditional Name: 2-[5-(1-hydroxy-3-phenyl-propyl)-4,7-dimethoxy-benzofuran-6-yl]oxyethyl-dimethyl-ammonium binoxalate Formula: C25H31NO9 MolecularWeight: 489.51494

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC=CC=C3)O)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC=CC=C3)O)OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H29NO5.C2H2O4/c1-24(2)13-15-29-22-19(18(25)11-10-16-8-6-5-7-9-16)20(26-3)17-12-14-28-21(17)23(22)27-4;3-1(4)2(5)6/h5-9,12,14,18,25H,10-11,13,15H2,1-4H3;(H,3,4)(H,5,6)