(1-cyclohexyl-1-oxidanylidene-propan-2-yl) 4-nitrobenzenesulfonate

Systemtic Name: (1-cyclohexyl-1-oxidanylidene-propan-2-yl) 4-nitrobenzenesulfonate Openeye Name: (2-cyclohexyl-1-methyl-2-oxo-ethyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (1-cyclohexyl-1-oxopropan-2-yl) ester IUPAC Name: (1-cyclohexyl-1-oxopropan-2-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-cyclohexyl-2-keto-1-methyl-ethyl) ester Formula: C15H19NO6S MolecularWeight: 341.37946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1CCCCC1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1CCCCC1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19NO6S/c1-11(15(17)12-5-3-2-4-6-12)22-23(20,21)14-9-7-13(8-10-14)16(18)19/h7-12H,2-6H2,1H3