[5,5-dimethyl-2-(2-methyl-2-nitro-propyl)-3-oxidanylidene-cyclohexen-1-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5,5-dimethyl-2-(2-methyl-2-nitro-propyl)-3-oxidanylidene-cyclohexen-1-yl] tris(fluoranyl)methanesulfonate Openeye Name: [5,5-dimethyl-2-(2-methyl-2-nitro-propyl)-3-oxo-cyclohexen-1-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [5,5-dimethyl-2-(2-methyl-2-nitropropyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-2-(2-methyl-2-nitropropyl)-3-oxocyclohexen-1-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-keto-5,5-dimethyl-2-(2-methyl-2-nitro-propyl)cyclohexen-1-yl] ester Formula: C13H18F3NO6S MolecularWeight: 373.34533

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)CC(C)(C)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)CC(C)(C)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C13H18F3NO6S/c1-11(2)6-9(18)8(5-12(3,4)17(19)20)10(7-11)23-24(21,22)13(14,15)16/h5-7H2,1-4H3