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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 4-methylsulfonyl-2-nitro-benzoate Openeye Name: (3-oxocyclohexen-1-yl) 4-methylsulfonyl-2-nitro-benzoate CAS Name: 4-methylsulfonyl-2-nitrobenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 4-methylsulfonyl-2-nitrobenzoate Traditional Name: 4-mesyl-2-nitro-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C14H13NO7S MolecularWeight: 339.32052

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)OC2=CC(=O)CCC2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)OC2=CC(=O)CCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO7S/c1-23(20,21)11-5-6-12(13(8-11)15(18)19)14(17)22-10-4-2-3-9(16)7-10/h5-8H,2-4H2,1H3