4-chloranyl-1,1,1-tris(fluoranyl)-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol

Systemtic Name: 4-chloranyl-1,1,1-tris(fluoranyl)-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol Openeye Name: 4-chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol CAS Name: 4-chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)-2-butanol IUPAC Name: 4-chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol Traditional Name: 4-chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol Formula: C11H8ClF6NO3 MolecularWeight: 351.629539

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8ClF6NO3/c12-8(6-2-1-3-7(4-6)19(21)22)5-9(20,10(13,14)15)11(16,17)18/h1-4,8,20H,5H2