cyclohexyl 2-[2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl]oxyethanoate

Systemtic Name: cyclohexyl 2-[2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl]oxyethanoate Openeye Name: cyclohexyl 2-[2-(3-bromo-4,5-dimethoxy-phenyl)-4-oxo-chromen-3-yl]oxyacetate CAS Name: 2-[[2-(3-bromo-4,5-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[2-(3-bromo-4,5-dimethoxyphenyl)-4-oxochromen-3-yl]oxyacetate Traditional Name: 2-[2-(3-bromo-4,5-dimethoxy-phenyl)-4-keto-chromen-3-yl]oxyacetic acid cyclohexyl ester Formula: C25H25BrO7 MolecularWeight: 517.3658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrO7/c1-29-20-13-15(12-18(26)24(20)30-2)23-25(22(28)17-10-6-7-11-19(17)33-23)31-14-21(27)32-16-8-4-3-5-9-16/h6-7,10-13,16H,3-5,8-9,14H2,1-2H3