(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H17ClO6 MolecularWeight: 400.80908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCC(=O)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCC(=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H17ClO6/c1-12-17(23)7-6-16-14(10-20(26)28-21(12)16)11-27-19(25)9-8-18(24)13-2-4-15(22)5-3-13/h2-7,10,23H,8-9,11H2,1H3