cyclopentane; iron(3+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

Systemtic Name: cyclopentane; iron(3+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Openeye Name: ferric; cyclopentane; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide CAS Name: cyclopentane; iron(3+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide IUPAC Name: cyclopentane; iron(3+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Traditional Name: ferric; cyclopentane; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Formula: C42H22BF24Fe+2 MolecularWeight: 1049.241757

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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.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+3]

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.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+3]

InChI

InChI=1S/C32H12BF24.2C5H5.Fe/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;2*1-2-4-5-3-1;/h1-12H;2*1-5H;/q-1;;;+3