2-[2-[[5-(1,3-benzodioxol-5-yl)-5-oxidanyl-2-oxidanylidene-furan-3-yl]methyl]-5-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[2-[[5-(1,3-benzodioxol-5-yl)-5-oxidanyl-2-oxidanylidene-furan-3-yl]methyl]-5-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[2-[[5-(1,3-benzodioxol-5-yl)-5-hydroxy-2-oxo-3-furyl]methyl]-5-methoxy-phenoxy]acetic acid CAS Name: 2-[2-[[5-(1,3-benzodioxol-5-yl)-5-hydroxy-2-oxo-3-furanyl]methyl]-5-methoxyphenoxy]acetic acid IUPAC Name: 2-[2-[[5-(1,3-benzodioxol-5-yl)-5-hydroxy-2-oxofuran-3-yl]methyl]-5-methoxyphenoxy]acetic acid Traditional Name: 2-[2-[[5-(1,3-benzodioxol-5-yl)-5-hydroxy-2-keto-3-furyl]methyl]-5-methoxy-phenoxy]acetic acid Formula: C21H18O9 MolecularWeight: 414.36222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC2=CC(OC2=O)(C3=CC4=C(C=C3)OCO4)O)OCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)CC2=CC(OC2=O)(C3=CC4=C(C=C3)OCO4)O)OCC(=O)O

InChI

InChI=1S/C21H18O9/c1-26-15-4-2-12(17(8-15)27-10-19(22)23)6-13-9-21(25,30-20(13)24)14-3-5-16-18(7-14)29-11-28-16/h2-5,7-9,25H,6,10-11H2,1H3,(H,22,23)