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

Systemtic Name: methyl 3-[[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-2-oxidanyl-5-oxidanylidene-furan-3-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxo-3-furyl]methyl]benzoate CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxo-3-furanyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxofuran-3-yl]methyl]benzoate Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-5-keto-2-(4-methoxyphenyl)-3-furyl]methyl]benzoic acid methyl ester Formula: C27H22O8 MolecularWeight: 474.45878

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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=CC(=C5)C(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C27H22O8/c1-31-20-9-7-19(8-10-20)27(30)21(13-16-4-3-5-18(12-16)25(28)32-2)24(26(29)35-27)17-6-11-22-23(14-17)34-15-33-22/h3-12,14,30H,13,15H2,1-2H3