[6-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoyl]-2,3-dimethoxy-phenyl] benzoate

Systemtic Name: [6-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoyl]-2,3-dimethoxy-phenyl] benzoate Openeye Name: [6-[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]-2,3-dimethoxy-phenyl] benzoate CAS Name: benzoic acid [6-[2-(2-bromo-4,5-dimethoxyphenyl)-1-oxoethyl]-2,3-dimethoxyphenyl] ester IUPAC Name: [6-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2,3-dimethoxyphenyl] benzoate Traditional Name: benzoic acid [6-[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]-2,3-dimethoxy-phenyl] ester Formula: C25H23BrO7 MolecularWeight: 515.34992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)CC2=CC(=C(C=C2Br)OC)OC)OC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)CC2=CC(=C(C=C2Br)OC)OC)OC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C25H23BrO7/c1-29-20-11-10-17(19(27)12-16-13-21(30-2)22(31-3)14-18(16)26)23(24(20)32-4)33-25(28)15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3