(2-oxidanylidenecyclohexyl) 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: (2-oxidanylidenecyclohexyl) 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: (2-oxocyclohexyl) 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid (2-ketocyclohexyl) ester Formula: C14H15ClO5S MolecularWeight: 330.7839

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OC2CCCCC2=O)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OC2CCCCC2=O)Cl

InChI

InChI=1S/C14H15ClO5S/c1-21(18,19)13-8-9(6-7-10(13)15)14(17)20-12-5-3-2-4-11(12)16/h6-8,12H,2-5H2,1H3