2-[5-(2-chloranylpropanoyl)-2-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[5-(2-chloranylpropanoyl)-2-methoxy-phenyl]ethanoic acid Openeye Name: 2-[5-(2-chloropropanoyl)-2-methoxy-phenyl]acetic acid CAS Name: 2-[5-(2-chloro-1-oxopropyl)-2-methoxyphenyl]acetic acid IUPAC Name: 2-[5-(2-chloropropanoyl)-2-methoxyphenyl]acetic acid Traditional Name: 2-[5-(2-chloropropanoyl)-2-methoxy-phenyl]acetic acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C=C1)OC)CC(=O)O)Cl

Isomeric SMILES

CC(C(=O)C1=CC(=C(C=C1)OC)CC(=O)O)Cl

InChI

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