methyl 4-[6-(5-chloranyl-2-oxidanyl-phenyl)carbonyl-4-oxidanylidene-2,3-dihydrochromen-2-yl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[6-(5-chloranyl-2-oxidanyl-phenyl)carbonyl-4-oxidanylidene-2,3-dihydrochromen-2-yl]-3-oxidanylidene-butanoate Openeye Name: methyl 4-[6-(5-chloro-2-hydroxy-benzoyl)-4-oxo-chroman-2-yl]-3-oxo-butanoate CAS Name: 4-[6-[(5-chloro-2-hydroxyphenyl)-oxomethyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[6-(5-chloro-2-hydroxybenzoyl)-4-oxo-2,3-dihydrochromen-2-yl]-3-oxobutanoate Traditional Name: 4-[6-(5-chloro-2-hydroxy-benzoyl)-4-keto-chroman-2-yl]-3-keto-butyric acid methyl ester Formula: C21H17ClO7 MolecularWeight: 416.80848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CC1CC(=O)C2=C(O1)C=CC(=C2)C(=O)C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

COC(=O)CC(=O)CC1CC(=O)C2=C(O1)C=CC(=C2)C(=O)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C21H17ClO7/c1-28-20(26)9-13(23)8-14-10-18(25)15-6-11(2-5-19(15)29-14)21(27)16-7-12(22)3-4-17(16)24/h2-7,14,24H,8-10H2,1H3