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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-4-methylsulfonyl-benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-chloro-4-methylsulfonyl-benzoate CAS Name: 2-chloro-4-methylsulfonylbenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-4-methylsulfonylbenzoate Traditional Name: 2-chloro-4-mesyl-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C14H13ClO5S MolecularWeight: 328.76802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClO5S/c1-21(18,19)11-5-6-12(13(15)8-11)14(17)20-10-4-2-3-9(16)7-10/h5-8H,2-4H2,1H3