4-(1,3-benzodioxol-5-ylcarbonyl)-3-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]oxolan-2-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-3-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]oxolan-2-one Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-3-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]tetrahydrofuran-2-one CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-3-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxolanone IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-3-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]oxolan-2-one Traditional Name: 3-(2-bromo-3,4,5-trimethoxy-benzyl)-4-piperonyloyl-tetrahydrofuran-2-one Formula: C22H21BrO8 MolecularWeight: 493.30134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CC2C(COC2=O)C(=O)C3=CC4=C(C=C3)OCO4)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CC2C(COC2=O)C(=O)C3=CC4=C(C=C3)OCO4)Br)OC)OC

InChI

InChI=1S/C22H21BrO8/c1-26-17-8-12(18(23)21(28-3)20(17)27-2)6-13-14(9-29-22(13)25)19(24)11-4-5-15-16(7-11)31-10-30-15/h4-5,7-8,13-14H,6,9-10H2,1-3H3