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

Systemtic Name: 5-[5-[[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-2-oxidanyl-5-oxidanylidene-furan-3-yl]methyl]-2,3-dimethoxy-phenoxy]pentanoic acid Openeye Name: 5-[5-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxo-3-furyl]methyl]-2,3-dimethoxy-phenoxy]pentanoic acid CAS Name: 5-[5-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxo-3-furanyl]methyl]-2,3-dimethoxyphenoxy]pentanoic acid IUPAC Name: 5-[5-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxofuran-3-yl]methyl]-2,3-dimethoxyphenoxy]pentanoic acid Traditional Name: 5-[5-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-5-keto-2-(4-methoxyphenyl)-3-furyl]methyl]-2,3-dimethoxy-phenoxy]valeric acid Formula: C32H32O11 MolecularWeight: 592.58988

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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)OCCCCC(=O)O)OC)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)OCCCCC(=O)O)OC)OC)O

InChI

InChI=1S/C32H32O11/c1-37-22-10-8-21(9-11-22)32(36)23(29(31(35)43-32)20-7-12-24-25(17-20)42-18-41-24)14-19-15-26(38-2)30(39-3)27(16-19)40-13-5-4-6-28(33)34/h7-12,15-17,36H,4-6,13-14,18H2,1-3H3,(H,33,34)