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

Systemtic Name: methyl 4-(3-chloranyl-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(3-chloro-4-hydroxy-phenyl)-4-oxo-butanoate CAS Name: 4-(3-chloro-4-hydroxyphenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(3-chloro-4-hydroxyphenyl)-4-oxobutanoate Traditional Name: 4-(3-chloro-4-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=CC(=C(C=C1)O)Cl

Isomeric SMILES

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

InChI

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