diethyloxidanium; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

Systemtic Name: diethyloxidanium; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Openeye Name: diethyloxonium; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide CAS Name: diethyloxonium; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide IUPAC Name: diethyloxidanium; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Traditional Name: diethyloxonium; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Formula: C36H23BF24O MolecularWeight: 938.339897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(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.CC[OH+]CC

Isomeric SMILES

[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(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.CC[OH+]CC

InChI

InChI=1S/C32H12BF24.C4H10O/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-3-5-4-2/h1-12H;3-4H2,1-2H3/q-1;/p+1