sodium 1,1,1-tris(fluoranyl)-2-(2-methylphenyl)-3-nitro-propan-2-olate

Systemtic Name: sodium 1,1,1-tris(fluoranyl)-2-(2-methylphenyl)-3-nitro-propan-2-olate Openeye Name: sodium 1,1,1-trifluoro-3-nitro-2-(o-tolyl)propan-2-olate CAS Name: sodium 1,1,1-trifluoro-2-(2-methylphenyl)-3-nitro-2-propanolate IUPAC Name: sodium 1,1,1-trifluoro-2-(2-methylphenyl)-3-nitropropan-2-olate Traditional Name: sodium 1,1,1-trifluoro-3-nitro-2-(o-tolyl)propan-2-olate Formula: C10H9F3NNaO3 MolecularWeight: 271.16834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C[N+](=O)[O-])(C(F)(F)F)[O-].[Na+]

Isomeric SMILES

CC1=CC=CC=C1C(C[N+](=O)[O-])(C(F)(F)F)[O-].[Na+]

InChI

InChI=1S/C10H9F3NO3.Na/c1-7-4-2-3-5-8(7)9(15,6-14(16)17)10(11,12)13;/h2-5H,6H2,1H3;/q-1;+1