(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-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-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H19ClO5 MolecularWeight: 398.83626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClO5/c1-13-9-18-16(11-22(26)28-20(18)10-14(13)2)12-27-21(25)8-7-19(24)15-3-5-17(23)6-4-15/h3-6,9-11H,7-8,12H2,1-2H3