3-(3-chloranylphenoxy)-4-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: 3-(3-chloranylphenoxy)-4-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 3-(3-chlorophenoxy)-4-oxo-cyclohexanecarboxylic acid CAS Name: 3-(3-chlorophenoxy)-4-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 3-(3-chlorophenoxy)-4-oxocyclohexane-1-carboxylic acid Traditional Name: 3-(3-chlorophenoxy)-4-keto-cyclohexanecarboxylic acid Formula: C13H13ClO4 MolecularWeight: 268.69292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(CC1C(=O)O)OC2=CC(=CC=C2)Cl

Isomeric SMILES

C1CC(=O)C(CC1C(=O)O)OC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H13ClO4/c14-9-2-1-3-10(7-9)18-12-6-8(13(16)17)4-5-11(12)15/h1-3,7-8,12H,4-6H2,(H,16,17)