1-(1,1-dideuterioethyl)-2-nitro-benzene; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(1,1-dideuterioethyl)-2-nitro-benzene; tris(fluoranyl)methanesulfonate Openeye Name: 1-(1,1-dideuterioethyl)-2-nitro-benzene; trifluoromethanesulfonate CAS Name: 1-(1,1-dideuterioethyl)-2-nitrobenzene; trifluoromethanesulfonate IUPAC Name: 1-(1,1-dideuterioethyl)-2-nitrobenzene; trifluoromethanesulfonate Traditional Name: 1-(1,1-dideuterioethyl)-2-nitro-benzene triflate Formula: C9H9F3NO5S- MolecularWeight: 302.243993

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

[2H]C([2H])(C)C1=CC=CC=C1[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C8H9NO2.CHF3O3S/c1-2-7-5-3-4-6-8(7)9(10)11;2-1(3,4)8(5,6)7/h3-6H,2H2,1H3;(H,5,6,7)/p-1/i2D2;