[(1S)-2-oxidanylidenecyclohexyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C14H15NO7S MolecularWeight: 341.3364

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC2CCCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)O[C@H]2CCCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H15NO7S/c1-23(20,21)13-7-6-9(8-10(13)15(18)19)14(17)22-12-5-3-2-4-11(12)16/h6-8,12H,2-5H2,1H3/t12-/m0/s1