methyl 4-(3-chloranyl-2-oxidanyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(3-chloranyl-2-oxidanyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(3-chloro-2-hydroxy-phenyl)-4-oxo-butanoate CAS Name: 4-(3-chloro-2-hydroxyphenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(3-chloro-2-hydroxyphenyl)-4-oxobutanoate Traditional Name: 4-(3-chloro-2-hydroxy-phenyl)-4-keto-butyric acid methyl ester Formula: C11H11ClO4 MolecularWeight: 242.65564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=C(C(=CC=C1)Cl)O

Isomeric SMILES

COC(=O)CCC(=O)C1=C(C(=CC=C1)Cl)O

InChI

InChI=1S/C11H11ClO4/c1-16-10(14)6-5-9(13)7-3-2-4-8(12)11(7)15/h2-4,15H,5-6H2,1H3