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

Systemtic Name: [6-(4-ethoxyphenyl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] 3-bromanylbenzoate Openeye Name: [6-(4-ethoxyphenyl)-1,3-dimethyl-8-oxo-cyclohepta[c]furan-4-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [6-(4-ethoxyphenyl)-1,3-dimethyl-8-oxo-4-cyclohepta[c]furanyl] ester IUPAC Name: [6-(4-ethoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (8-keto-1,3-dimethyl-6-p-phenetyl-cyclohepta[c]furan-4-yl) ester Formula: C26H21BrO5 MolecularWeight: 493.34594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=O)C3=C(OC(=C3C(=C2)OC(=O)C4=CC(=CC=C4)Br)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=O)C3=C(OC(=C3C(=C2)OC(=O)C4=CC(=CC=C4)Br)C)C

InChI

InChI=1S/C26H21BrO5/c1-4-30-21-10-8-17(9-11-21)19-13-22(28)24-15(2)31-16(3)25(24)23(14-19)32-26(29)18-6-5-7-20(27)12-18/h5-14H,4H2,1-3H3