methyl(dioctadecyl)azanium; tetrakis[4-(trifluoromethyl)phenyl]boranuide

Systemtic Name: methyl(dioctadecyl)azanium; tetrakis[4-(trifluoromethyl)phenyl]boranuide Openeye Name: methyl(dioctadecyl)ammonium; tetrakis[4-(trifluoromethyl)phenyl]boranuide CAS Name: methyl(dioctadecyl)ammonium; tetrakis[4-(trifluoromethyl)phenyl]boranuide IUPAC Name: methyl(dioctadecyl)azanium; tetrakis[4-(trifluoromethyl)phenyl]boranuide Traditional Name: methyl(distearyl)ammonium; tetrakis[4-(trifluoromethyl)phenyl]boranuide Formula: C65H94BF12N MolecularWeight: 1128.240398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=C(C=C1)C(F)(F)F)(C2=CC=C(C=C2)C(F)(F)F)(C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F.CCCCCCCCCCCCCCCCCC[NH+](C)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

[B-](C1=CC=C(C=C1)C(F)(F)F)(C2=CC=C(C=C2)C(F)(F)F)(C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F.CCCCCCCCCCCCCCCCCC[NH+](C)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C37H77N.C28H16BF12/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;30-25(31,32)17-1-9-21(10-2-17)29(22-11-3-18(4-12-22)26(33,34)35,23-13-5-19(6-14-23)27(36,37)38)24-15-7-20(8-16-24)28(39,40)41/h4-37H2,1-3H3;1-16H/q;-1/p+1