[(3Z)-3-(1-azanidylidene-1-phenyl-propan-2-ylidene)-2-methyl-cyclopropen-1-yl]-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide; benzenecarbonitrile; cyclopentane; zirconium(4+)

Systemtic Name: [(3Z)-3-(1-azanidylidene-1-phenyl-propan-2-ylidene)-2-methyl-cyclopropen-1-yl]-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuide; benzenecarbonitrile; cyclopentane; zirconium(4+) Openeye Name: [(3Z)-3-(2-azanidylidene-1-methyl-2-phenyl-ethylidene)-2-methyl-cyclopropen-1-yl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide; benzonitrile; cyclopentane; zirconium(4+) CAS Name: [(3Z)-3-(1-azanidylidene-1-phenylpropan-2-ylidene)-2-methyl-1-cyclopropenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide; benzonitrile; cyclopentane; zirconium(4+) IUPAC Name: [(3Z)-3-(1-azanidylidene-1-phenylpropan-2-ylidene)-2-methylcyclopropen-1-yl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide; benzonitrile; cyclopentane; zirconium(4+) Traditional Name: [(3Z)-3-(2-amidylidene-1-methyl-2-phenyl-ethylidene)-2-methyl-cyclopropen-1-yl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide; benzonitrile; cyclopentane; zirconium(4+) Formula: C48H36BF15N2Zr+2 MolecularWeight: 1027.823888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=C(C1=C(C)C(=[N-])C2=CC=CC=C2)C)(C3=C(C(=C(C(=C3F)F)F)F)F)(C4=C(C(=C(C(=C4F)F)F)F)F)C5=C(C(=C(C(=C5F)F)F)F)F.C1CCCC1.C1CCCC1.C1=CC=C(C=C1)C#N.[Zr+4]

Isomeric SMILES

[B-](C\1=C(/C1=C(/C)\C(=[N-])C2=CC=CC=C2)C)(C3=C(C(=C(C(=C3F)F)F)F)F)(C4=C(C(=C(C(=C4F)F)F)F)F)C5=C(C(=C(C(=C5F)F)F)F)F.C1CCCC1.C1CCCC1.C1=CC=C(C=C1)C#N.[Zr+4]

InChI

InChI=1S/C31H11BF15N.C7H5N.2C5H10.Zr/c1-8-11(9(2)31(48)10-6-4-3-5-7-10)12(8)32(13-16(33)22(39)28(45)23(40)17(13)34,14-18(35)24(41)29(46)25(42)19(14)36)15-20(37)26(43)30(47)27(44)21(15)38;8-6-7-4-2-1-3-5-7;2*1-2-4-5-3-1;/h3-7H,1-2H3;1-5H;2*1-5H2;/q-2;;;;+4/b11-9+;;;;