(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(3-bromanylphenoxy)butanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(3-bromanylphenoxy)butanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H19BrO6 MolecularWeight: 447.27596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCOC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H19BrO6/c1-25-16-7-8-18-14(10-21(24)28-19(18)12-16)13-27-20(23)6-3-9-26-17-5-2-4-15(22)11-17/h2,4-5,7-8,10-12H,3,6,9,13H2,1H3