tris[3,5-bis(trifluoromethyl)phenyl]-(2-hydroxyphenyl)boranuide

Systemtic Name: tris[3,5-bis(trifluoromethyl)phenyl]-(2-hydroxyphenyl)boranuide Openeye Name: tris[3,5-bis(trifluoromethyl)phenyl]-(2-hydroxyphenyl)boranuide CAS Name: tris[3,5-bis(trifluoromethyl)phenyl]-(2-hydroxyphenyl)boranuide IUPAC Name: tris[3,5-bis(trifluoromethyl)phenyl]-(2-hydroxyphenyl)boranuide Traditional Name: tris[3,5-bis(trifluoromethyl)phenyl]-(2-hydroxyphenyl)boranuide Formula: C30H14BF18O- MolecularWeight: 743.213818

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1O)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

[B-](C1=CC=CC=C1O)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C30H14BF18O/c32-25(33,34)14-5-15(26(35,36)37)9-20(8-14)31(23-3-1-2-4-24(23)50,21-10-16(27(38,39)40)6-17(11-21)28(41,42)43)22-12-18(29(44,45)46)7-19(13-22)30(47,48)49/h1-13,50H/q-1