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

Systemtic Name: [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] 3-bromanylbenzoate Openeye Name: [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxo-cyclohepta[c]furan-4-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxo-4-cyclohepta[c]furanyl] ester IUPAC Name: [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [8-keto-6-(4-methoxyphenyl)-1,3-dimethyl-cyclohepta[c]furan-4-yl] ester Formula: C25H19BrO5 MolecularWeight: 479.31936

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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(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H19BrO5/c1-14-23-21(27)12-18(16-7-9-20(29-3)10-8-16)13-22(24(23)15(2)30-14)31-25(28)17-5-4-6-19(26)11-17/h4-13H,1-3H3