[6-(4-ethoxyphenyl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] 2-bromanylbenzoate

Systemtic Name: [6-(4-ethoxyphenyl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] 2-bromanylbenzoate Openeye Name: [6-(4-ethoxyphenyl)-1,3-dimethyl-8-oxo-cyclohepta[c]furan-4-yl] 2-bromobenzoate CAS Name: 2-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] 2-bromobenzoate Traditional Name: 2-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=C4Br)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=O)C3=C(OC(=C3C(=C2)OC(=O)C4=CC=CC=C4Br)C)C

InChI

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