2-[[4,7-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-diethyl-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-diethyl-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-diethyl-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-diethylammonium; (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-diethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-[4,7-dimethoxy-5-[(E)-3-phenylacryloyl]benzofuran-6-yl]oxyethyl-diethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C29H33NO9 MolecularWeight: 539.57362

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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=CC=C3)OC)OC.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH+](CC)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/C25H29NO5.C4H4O4/c1-5-26(6-2)15-17-31-24-21(20(27)13-12-18-10-8-7-9-11-18)22(28-3)19-14-16-30-23(19)25(24)29-4;5-3(6)1-2-4(7)8/h7-14,16H,5-6,15,17H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b13-12+;2-1-