cyclopentane; ethoxyethane; propan-2-ol; tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-[tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuidylazaniumyl]boranuide; zirconium(3+)

Systemtic Name: cyclopentane; ethoxyethane; propan-2-ol; tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-[tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]boranuidylazaniumyl]boranuide; zirconium(3+) Openeye Name: cyclopentane; ethoxyethane; propan-2-ol; tris(2,3,4,5,6-pentafluorophenyl)-[tris(2,3,4,5,6-pentafluorophenyl)boranuidylammonio]boranuide; zirconium(3+) CAS Name: cyclopentane; ethoxyethane; 2-propanol; tris(2,3,4,5,6-pentafluorophenyl)-[tris(2,3,4,5,6-pentafluorophenyl)boranuidylammonio]boranuide; zirconium(3+) IUPAC Name: cyclopentane; ethoxyethane; propan-2-ol; tris(2,3,4,5,6-pentafluorophenyl)-[tris(2,3,4,5,6-pentafluorophenyl)boranuidylazaniumyl]boranuide; zirconium(3+) Traditional Name: cyclopentane; ethoxyethane; propan-2-ol; tris(2,3,4,5,6-pentafluorophenyl)-[tris(2,3,4,5,6-pentafluorophenyl)boranuidylammonio]boranuide; zirconium(3+) Formula: C56H38B2F30NO3Zr+2 MolecularWeight: 1455.703916

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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)[NH2+][B-](C4=C(C(=C(C(=C4F)F)F)F)F)(C5=C(C(=C(C(=C5F)F)F)F)F)C6=C(C(=C(C(=C6F)F)F)F)F.CCOCC.CC(C)O.CC(C)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

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)[NH2+][B-](C4=C(C(=C(C(=C4F)F)F)F)F)(C5=C(C(=C(C(=C5F)F)F)F)F)C6=C(C(=C(C(=C6F)F)F)F)F.CCOCC.CC(C)O.CC(C)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

InChI

InChI=1S/C36H2B2F30N.2C5H5.C4H10O.2C3H8O.Zr/c39-7-1(8(40)20(52)31(63)19(7)51)37(2-9(41)21(53)32(64)22(54)10(2)42,3-11(43)23(55)33(65)24(56)12(3)44)69-38(4-13(45)25(57)34(66)26(58)14(4)46,5-15(47)27(59)35(67)28(60)16(5)48)6-17(49)29(61)36(68)30(62)18(6)50;2*1-2-4-5-3-1;1-3-5-4-2;2*1-3(2)4;/h69H2;2*1-5H;3-4H2,1-2H3;2*3-4H,1-2H3;/q-1;;;;;;+3