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

Systemtic Name: 2-[[4,7-dimethoxy-5-[1-oxidanyl-3-(4-propoxyphenyl)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-(4-propoxyphenyl)propyl]-4,7-dimethoxy-benzofuran-6-yl]oxyethyl-dimethyl-ammonium CAS Name: 2-hydroxy-2-oxoacetate; 2-[[5-[1-hydroxy-3-(4-propoxyphenyl)propyl]-4,7-dimethoxy-6-benzofuranyl]oxy]ethyl-dimethylammonium IUPAC Name: 2-hydroxy-2-oxoacetate; 2-[[5-[1-hydroxy-3-(4-propoxyphenyl)propyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium Traditional Name: 2-[5-[1-hydroxy-3-(4-propoxyphenyl)propyl]-4,7-dimethoxy-benzofuran-6-yl]oxyethyl-dimethyl-ammonium binoxalate Formula: C28H37NO10 MolecularWeight: 547.59408

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CCC(C2=C(C3=C(C(=C2OCC[NH+](C)C)OC)OC=C3)OC)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCOC1=CC=C(C=C1)CCC(C2=C(C3=C(C(=C2OCC[NH+](C)C)OC)OC=C3)OC)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C26H35NO6.C2H2O4/c1-6-15-31-19-10-7-18(8-11-19)9-12-21(28)22-23(29-4)20-13-16-32-24(20)26(30-5)25(22)33-17-14-27(2)3;3-1(4)2(5)6/h7-8,10-11,13,16,21,28H,6,9,12,14-15,17H2,1-5H3;(H,3,4)(H,5,6)