bis[(1-propan-2-ylcyclohexyl)methyl]azanium; tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide

Systemtic Name: bis[(1-propan-2-ylcyclohexyl)methyl]azanium; tetrakis[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide Openeye Name: bis[(1-isopropylcyclohexyl)methyl]ammonium; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide CAS Name: bis[(1-propan-2-ylcyclohexyl)methyl]ammonium; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide IUPAC Name: bis[(1-propan-2-ylcyclohexyl)methyl]azanium; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide Traditional Name: bis[(1-isopropylcyclohexyl)methyl]ammonium; tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide Formula: C44H40BF20N MolecularWeight: 973.574164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.CC(C)C1(CCCCC1)C[NH2+]CC2(CCCCC2)C(C)C

Isomeric SMILES

[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.CC(C)C1(CCCCC1)C[NH2+]CC2(CCCCC2)C(C)C

InChI

InChI=1S/C24BF20.C20H39N/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-17(2)19(11-7-5-8-12-19)15-21-16-20(18(3)4)13-9-6-10-14-20/h;17-18,21H,5-16H2,1-4H3/q-1;/p+1