(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(3-bromanylphenoxy)butanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(3-bromanylphenoxy)butanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H21BrO5 MolecularWeight: 445.30314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCOC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCOC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C22H21BrO5/c1-14-8-9-19-16(11-21(25)28-22(19)15(14)2)13-27-20(24)7-4-10-26-18-6-3-5-17(23)12-18/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3