(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H21ClO5 MolecularWeight: 412.86284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C23H21ClO5/c1-13-4-5-14(2)17(8-13)20(25)6-7-22(26)28-12-16-10-23(27)29-21-9-15(3)19(24)11-18(16)21/h4-5,8-11H,6-7,12H2,1-3H3