2-[2-[1,2,2-tris(fluoranyl)-2-nitro-ethyl]phenyl]propanedioate

Systemtic Name: 2-[2-[1,2,2-tris(fluoranyl)-2-nitro-ethyl]phenyl]propanedioate Openeye Name: 2-[2-(1,2,2-trifluoro-2-nitro-ethyl)phenyl]propanedioate CAS Name: 2-[2-(1,2,2-trifluoro-2-nitroethyl)phenyl]propanedioate IUPAC Name: 2-[2-(1,2,2-trifluoro-2-nitroethyl)phenyl]propanedioate Traditional Name: 2-[2-(1,2,2-trifluoro-2-nitro-ethyl)phenyl]malonate Formula: C11H6F3NO6-2 MolecularWeight: 305.16365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8F3NO6/c12-8(11(13,14)15(20)21)6-4-2-1-3-5(6)7(9(16)17)10(18)19/h1-4,7-8H,(H,16,17)(H,18,19)/p-2