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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H19ClO5 MolecularWeight: 398.83626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl)C

InChI

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