4-(4-chloranylphenoxy)-2,2-dimethyl-3-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-chloranylphenoxy)-2,2-dimethyl-3-oxidanylidene-butanoic acid Openeye Name: 4-(4-chlorophenoxy)-2,2-dimethyl-3-oxo-butanoic acid CAS Name: 4-(4-chlorophenoxy)-2,2-dimethyl-3-oxobutanoic acid IUPAC Name: 4-(4-chlorophenoxy)-2,2-dimethyl-3-oxobutanoic acid Traditional Name: 4-(4-chlorophenoxy)-3-keto-2,2-dimethyl-butyric acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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