(E)-1-[4,7-dimethoxy-6-(2-morpholin-4-ium-4-ylethoxy)-1-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-1-[4,7-dimethoxy-6-(2-morpholin-4-ium-4-ylethoxy)-1-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (E)-1-[4,7-dimethoxy-6-(2-morpholin-4-ium-4-ylethoxy)benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (E)-1-[4,7-dimethoxy-6-[2-(4-morpholin-4-iumyl)ethoxy]-5-benzofuranyl]-3-(3-hydroxyphenyl)-2-propen-1-one; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (E)-1-[4,7-dimethoxy-6-(2-morpholin-4-ium-4-ylethoxy)-1-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (E)-1-[4,7-dimethoxy-6-(2-morpholin-4-ium-4-ylethoxy)benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C29H31NO11 MolecularWeight: 569.55654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCOCC3)C(=O)C=CC4=CC(=CC=C4)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCOCC3)C(=O)/C=C/C4=CC(=CC=C4)O.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C25H27NO7.C4H4O4/c1-29-22-19-8-12-32-23(19)25(30-2)24(33-15-11-26-9-13-31-14-10-26)21(22)20(28)7-6-17-4-3-5-18(27)16-17;5-3(6)1-2-4(7)8/h3-8,12,16,27H,9-11,13-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b7-6+;2-1-