2-[[4,7-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-[[4,7-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-[4,7-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]benzofuran-6-yl]oxyethyl-dimethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2-[[4,7-dimethoxy-5-[(E)-1-oxo-3-phenylprop-2-enyl]-6-benzofuranyl]oxy]ethyl-dimethylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-[[4,7-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-[4,7-dimethoxy-5-[(E)-3-phenylacryloyl]benzofuran-6-yl]oxyethyl-dimethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C27H29NO9 MolecularWeight: 511.52046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5.C4H4O4/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;5-3(6)1-2-4(7)8/h5-12,14H,13,15H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b11-10+;2-1-