methyl 4-[[2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[2-(3-bromo-4-methoxy-phenyl)-4-oxo-chromen-3-yl]oxymethyl]benzoate CAS Name: 4-[[2-(3-bromo-4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-bromo-4-methoxyphenyl)-4-oxochromen-3-yl]oxymethyl]benzoate Traditional Name: 4-[[2-(3-bromo-4-methoxy-phenyl)-4-keto-chromen-3-yl]oxymethyl]benzoic acid methyl ester Formula: C25H19BrO6 MolecularWeight: 495.31876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC4=CC=C(C=C4)C(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC4=CC=C(C=C4)C(=O)OC)Br

InChI

InChI=1S/C25H19BrO6/c1-29-21-12-11-17(13-19(21)26)23-24(22(27)18-5-3-4-6-20(18)32-23)31-14-15-7-9-16(10-8-15)25(28)30-2/h3-13H,14H2,1-2H3