methyl 3-[3-chloranyl-2,6-bis(oxidanyl)phenyl]propanoate

Systemtic Name: methyl 3-[3-chloranyl-2,6-bis(oxidanyl)phenyl]propanoate Openeye Name: methyl 3-(3-chloro-2,6-dihydroxy-phenyl)propanoate CAS Name: 3-(3-chloro-2,6-dihydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(3-chloro-2,6-dihydroxyphenyl)propanoate Traditional Name: 3-(3-chloro-2,6-dihydroxy-phenyl)propionic acid methyl ester Formula: C10H11ClO4 MolecularWeight: 230.64494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=CC(=C1O)Cl)O

Isomeric SMILES

COC(=O)CCC1=C(C=CC(=C1O)Cl)O

InChI

InChI=1S/C10H11ClO4/c1-15-9(13)5-2-6-8(12)4-3-7(11)10(6)14/h3-4,12,14H,2,5H2,1H3