2-[[4,7-dimethoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-[[4,7-dimethoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-[4,7-dimethoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]benzofuran-6-yl]oxyethyl-diethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-[[4,7-dimethoxy-5-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-6-benzofuranyl]oxy]ethyl-diethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-[[4,7-dimethoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-diethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-[4,7-dimethoxy-5-[(E)-3-(4-methoxyphenyl)acryloyl]benzofuran-6-yl]oxyethyl-diethyl-ammonium binoxalate Formula: C28H33NO10 MolecularWeight: 543.56232

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)C=CC3=CC=C(C=C3)OC)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO6.C2H2O4/c1-6-27(7-2)15-17-33-25-22(21(28)13-10-18-8-11-19(29-3)12-9-18)23(30-4)20-14-16-32-24(20)26(25)31-5;3-1(4)2(5)6/h8-14,16H,6-7,15,17H2,1-5H3;(H,3,4)(H,5,6)/b13-10+;