2-[4-(3-chloranylpropoxy)-3-methoxy-phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-(3-chloranylpropoxy)-3-methoxy-phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(3-chloropropoxy)-3-methoxy-phenyl]-2-oxo-acetic acid CAS Name: 2-[4-(3-chloropropoxy)-3-methoxyphenyl]-2-oxoacetic acid IUPAC Name: 2-[4-(3-chloropropoxy)-3-methoxyphenyl]-2-oxoacetic acid Traditional Name: 2-[4-(3-chloropropoxy)-3-methoxy-phenyl]-2-keto-acetic acid Formula: C12H13ClO5 MolecularWeight: 272.68162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C(=O)O)OCCCCl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)C(=O)O)OCCCCl

InChI

InChI=1S/C12H13ClO5/c1-17-10-7-8(11(14)12(15)16)3-4-9(10)18-6-2-5-13/h3-4,7H,2,5-6H2,1H3,(H,15,16)