(2-chloranyl-3-oxidanylidene-cyclohexyl) benzoate

Systemtic Name: (2-chloranyl-3-oxidanylidene-cyclohexyl) benzoate Openeye Name: (2-chloro-3-oxo-cyclohexyl) benzoate CAS Name: benzoic acid (2-chloro-3-oxocyclohexyl) ester IUPAC Name: (2-chloro-3-oxocyclohexyl) benzoate Traditional Name: benzoic acid (2-chloro-3-keto-cyclohexyl) ester Formula: C13H13ClO3 MolecularWeight: 252.69352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(=O)C1)Cl)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CC(C(C(=O)C1)Cl)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H13ClO3/c14-12-10(15)7-4-8-11(12)17-13(16)9-5-2-1-3-6-9/h1-3,5-6,11-12H,4,7-8H2