[6-(3,4-dimethoxyphenyl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] 3-bromanylbenzoate

Systemtic Name: [6-(3,4-dimethoxyphenyl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] 3-bromanylbenzoate Openeye Name: [6-(3,4-dimethoxyphenyl)-1,3-dimethyl-8-oxo-cyclohepta[c]furan-4-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [6-(3,4-dimethoxyphenyl)-1,3-dimethyl-8-oxo-4-cyclohepta[c]furanyl] ester IUPAC Name: [6-(3,4-dimethoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [6-(3,4-dimethoxyphenyl)-8-keto-1,3-dimethyl-cyclohepta[c]furan-4-yl] ester Formula: C26H21BrO6 MolecularWeight: 509.34534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC(=C(C=C3)OC)OC)OC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC(=C(C=C3)OC)OC)OC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H21BrO6/c1-14-24-20(28)11-18(16-8-9-21(30-3)22(12-16)31-4)13-23(25(24)15(2)32-14)33-26(29)17-6-5-7-19(27)10-17/h5-13H,1-4H3