[[3-bromanyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)-5-(trifluoromethyl)phenyl]amino]methylphosphonic acid

Systemtic Name: [[3-bromanyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)-5-(trifluoromethyl)phenyl]amino]methylphosphonic acid Openeye Name: [3-bromo-4-(4-hydroxy-3-isopropyl-phenoxy)-5-(trifluoromethyl)anilino]methylphosphonic acid CAS Name: [3-bromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-5-(trifluoromethyl)anilino]methylphosphonic acid IUPAC Name: [3-bromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-5-(trifluoromethyl)anilino]methylphosphonic acid Traditional Name: [3-bromo-4-(4-hydroxy-3-isopropyl-phenoxy)-5-(trifluoromethyl)anilino]methylphosphonic acid Formula: C17H18BrF3NO5P MolecularWeight: 484.201491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2C(F)(F)F)NCP(=O)(O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2C(F)(F)F)NCP(=O)(O)O)Br)O

InChI

InChI=1S/C17H18BrF3NO5P/c1-9(2)12-7-11(3-4-15(12)23)27-16-13(17(19,20)21)5-10(6-14(16)18)22-8-28(24,25)26/h3-7,9,22-23H,8H2,1-2H3,(H2,24,25,26)