2-[4-[[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-2-oxidanyl-5-oxidanylidene-furan-3-yl]methyl]-2,6-dimethoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-2-oxidanyl-5-oxidanylidene-furan-3-yl]methyl]-2,6-dimethoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxo-3-furyl]methyl]-2,6-dimethoxy-phenoxy]acetic acid CAS Name: 2-[4-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxo-3-furanyl]methyl]-2,6-dimethoxyphenoxy]acetic acid IUPAC Name: 2-[4-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxofuran-3-yl]methyl]-2,6-dimethoxyphenoxy]acetic acid Traditional Name: 2-[4-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-5-keto-2-(4-methoxyphenyl)-3-furyl]methyl]-2,6-dimethoxy-phenoxy]acetic acid Formula: C29H26O11 MolecularWeight: 550.51014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OC)OCC(=O)O)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OC)OCC(=O)O)OC)O

InChI

InChI=1S/C29H26O11/c1-34-19-7-5-18(6-8-19)29(33)20(26(28(32)40-29)17-4-9-21-22(13-17)39-15-38-21)10-16-11-23(35-2)27(24(12-16)36-3)37-14-25(30)31/h4-9,11-13,33H,10,14-15H2,1-3H3,(H,30,31)