3-[[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-2-oxidanyl-5-oxidanylidene-furan-3-yl]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-2-oxidanyl-5-oxidanylidene-furan-3-yl]methyl]cyclohexane-1-carboxylic acid Openeye Name: 3-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxo-3-furyl]methyl]cyclohexanecarboxylic acid CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxo-3-furanyl]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxofuran-3-yl]methyl]cyclohexane-1-carboxylic acid Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-5-keto-2-(4-methoxyphenyl)-3-furyl]methyl]cyclohexanecarboxylic acid Formula: C26H26O8 MolecularWeight: 466.47984

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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)CC5CCCC(C5)C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5CCCC(C5)C(=O)O)O

InChI

InChI=1S/C26H26O8/c1-31-19-8-6-18(7-9-19)26(30)20(12-15-3-2-4-17(11-15)24(27)28)23(25(29)34-26)16-5-10-21-22(13-16)33-14-32-21/h5-10,13,15,17,30H,2-4,11-12,14H2,1H3,(H,27,28)