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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C26H19ClO5 MolecularWeight: 446.87906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C26H19ClO5/c1-15-7-12-20-18(13-23(28)32-25(20)16(15)2)14-31-26(30)22-6-4-3-5-21(22)24(29)17-8-10-19(27)11-9-17/h3-13H,14H2,1-2H3