methyl 3-[5-(2-chloranylethanoyl)-2,4-bis(oxidanyl)phenyl]propanoate

Systemtic Name: methyl 3-[5-(2-chloranylethanoyl)-2,4-bis(oxidanyl)phenyl]propanoate Openeye Name: methyl 3-[5-(2-chloroacetyl)-2,4-dihydroxy-phenyl]propanoate CAS Name: 3-[5-(2-chloro-1-oxoethyl)-2,4-dihydroxyphenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(2-chloroacetyl)-2,4-dihydroxyphenyl]propanoate Traditional Name: 3-[5-(2-chloroacetyl)-2,4-dihydroxy-phenyl]propionic acid methyl ester Formula: C12H13ClO5 MolecularWeight: 272.68162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=C(C(=C1)C(=O)CCl)O)O

Isomeric SMILES

COC(=O)CCC1=C(C=C(C(=C1)C(=O)CCl)O)O

InChI

InChI=1S/C12H13ClO5/c1-18-12(17)3-2-7-4-8(11(16)6-13)10(15)5-9(7)14/h4-5,14-15H,2-3,6H2,1H3