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

Systemtic Name: methyl 4-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(3-chloro-4-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(3-chloro-4-methoxyphenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(3-chloro-4-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(3-chloro-4-methoxy-phenyl)-4-keto-butyric acid methyl ester Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)OC)Cl

InChI

InChI=1S/C12H13ClO4/c1-16-11-5-3-8(7-9(11)13)10(14)4-6-12(15)17-2/h3,5,7H,4,6H2,1-2H3