(3-oxidanylidenecyclohexyl) 4-chloranylbenzoate

Systemtic Name: (3-oxidanylidenecyclohexyl) 4-chloranylbenzoate Openeye Name: (3-oxocyclohexyl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (3-oxocyclohexyl) ester IUPAC Name: (3-oxocyclohexyl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (3-ketocyclohexyl) ester Formula: C13H13ClO3 MolecularWeight: 252.69352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClO3/c14-10-6-4-9(5-7-10)13(16)17-12-3-1-2-11(15)8-12/h4-7,12H,1-3,8H2