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

Systemtic Name: methyl 4-[4-(1,3-benzodioxol-5-yl)-2-oxidanyl-5-oxidanylidene-3-(phenylmethyl)furan-2-yl]benzoate Openeye Name: methyl 4-[4-(1,3-benzodioxol-5-yl)-3-benzyl-2-hydroxy-5-oxo-2-furyl]benzoate CAS Name: 4-[4-(1,3-benzodioxol-5-yl)-2-hydroxy-5-oxo-3-(phenylmethyl)-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1,3-benzodioxol-5-yl)-3-benzyl-2-hydroxy-5-oxofuran-2-yl]benzoate Traditional Name: 4-[4-(1,3-benzodioxol-5-yl)-3-benzyl-2-hydroxy-5-keto-2-furyl]benzoic acid methyl ester Formula: C26H20O7 MolecularWeight: 444.4328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20O7/c1-30-24(27)17-7-10-19(11-8-17)26(29)20(13-16-5-3-2-4-6-16)23(25(28)33-26)18-9-12-21-22(14-18)32-15-31-21/h2-12,14,29H,13,15H2,1H3