propan-2-ol; [1-[[4-(trifluoromethyloxy)phenyl]amino]cyclohexyl]phosphonic acid

Systemtic Name: propan-2-ol; [1-[[4-(trifluoromethyloxy)phenyl]amino]cyclohexyl]phosphonic acid Openeye Name: propan-2-ol; [1-[4-(trifluoromethoxy)anilino]cyclohexyl]phosphonic acid CAS Name: 2-propanol; [1-[4-(trifluoromethoxy)anilino]cyclohexyl]phosphonic acid IUPAC Name: propan-2-ol; [1-[4-(trifluoromethoxy)anilino]cyclohexyl]phosphonic acid Traditional Name: propan-2-ol; [1-[4-(trifluoromethoxy)anilino]cyclohexyl]phosphonic acid Formula: C16H25F3NO5P MolecularWeight: 399.342371

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.C1CCC(CC1)(NC2=CC=C(C=C2)OC(F)(F)F)P(=O)(O)O

Isomeric SMILES

CC(C)O.C1CCC(CC1)(NC2=CC=C(C=C2)OC(F)(F)F)P(=O)(O)O

InChI

InChI=1S/C13H17F3NO4P.C3H8O/c14-13(15,16)21-11-6-4-10(5-7-11)17-12(22(18,19)20)8-2-1-3-9-12;1-3(2)4/h4-7,17H,1-3,8-9H2,(H2,18,19,20);3-4H,1-2H3