(3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-3-(cyclohexyloxymethyl)-4-methylsulfonyl-benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-3-(cyclohexyloxymethyl)-4-methylsulfonyl-benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-chloro-3-(cyclohexoxymethyl)-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-(cyclohexyloxymethyl)-4-methylsulfonylbenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-3-(cyclohexyloxymethyl)-4-methylsulfonylbenzoate Traditional Name: 2-chloro-3-(cyclohexoxymethyl)-4-mesyl-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C21H25ClO6S MolecularWeight: 440.9376

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)OC2=CC(=O)CCC2)Cl)COC3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)OC2=CC(=O)CCC2)Cl)COC3CCCCC3

InChI

InChI=1S/C21H25ClO6S/c1-29(25,26)19-11-10-17(21(24)28-16-9-5-6-14(23)12-16)20(22)18(19)13-27-15-7-3-2-4-8-15/h10-12,15H,2-9,13H2,1H3