cyclohexyl 2-[2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-chromen-3-yl]oxyethanoate

Systemtic Name: cyclohexyl 2-[2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-chromen-3-yl]oxyethanoate Openeye Name: cyclohexyl 2-[2-(3-bromo-4-methoxy-phenyl)-4-oxo-chromen-3-yl]oxyacetate CAS Name: 2-[[2-(3-bromo-4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[2-(3-bromo-4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate Traditional Name: 2-[2-(3-bromo-4-methoxy-phenyl)-4-keto-chromen-3-yl]oxyacetic acid cyclohexyl ester Formula: C24H23BrO6 MolecularWeight: 487.33982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(=O)OC4CCCCC4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(=O)OC4CCCCC4)Br

InChI

InChI=1S/C24H23BrO6/c1-28-20-12-11-15(13-18(20)25)23-24(22(27)17-9-5-6-10-19(17)31-23)29-14-21(26)30-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3