(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C23H21BrO6 MolecularWeight: 473.31324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC)C

InChI

InChI=1S/C23H21BrO6/c1-13-8-17-15(10-23(27)30-21(17)9-14(13)2)12-29-22(26)7-5-19(25)18-11-16(24)4-6-20(18)28-3/h4,6,8-11H,5,7,12H2,1-3H3