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

Systemtic Name: (E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-phenyl-prop-2-en-1-one; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)benzofuran-5-yl]-3-phenyl-prop-2-en-1-one; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (E)-1-[4,7-dimethoxy-6-[2-(1-pyrrolidin-1-iumyl)ethoxy]-5-benzofuranyl]-3-phenyl-2-propen-1-one; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylprop-2-en-1-one; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ium-1-ylethoxy)benzofuran-5-yl]-3-phenyl-prop-2-en-1-one; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C29H31NO9 MolecularWeight: 537.55774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCCC3)C(=O)C=CC4=CC=CC=C4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C(=C(C2=C1C=CO2)OC)OCC[NH+]3CCCC3)C(=O)/C=C/C4=CC=CC=C4.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C25H27NO5.C4H4O4/c1-28-22-19-12-16-30-23(19)25(29-2)24(31-17-15-26-13-6-7-14-26)21(22)20(27)11-10-18-8-4-3-5-9-18;5-3(6)1-2-4(7)8/h3-5,8-12,16H,6-7,13-15,17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b11-10+;2-1-