cobalt(2+); ethene; 1,2,3,4,5-pentamethylcyclopentane; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide; trimethyl phosphite

Systemtic Name: cobalt(2+); ethene; 1,2,3,4,5-pentamethylcyclopentane; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide; trimethyl phosphite Openeye Name: cobaltous; ethylene; 1,2,3,4,5-pentamethylcyclopentane; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide; trimethyl phosphite CAS Name: cobalt(2+); ethene; 1,2,3,4,5-pentamethylcyclopentane; phosphorous acid trimethyl ester; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide IUPAC Name: cobalt(2+); ethene; 1,2,3,4,5-pentamethylcyclopentane; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide; trimethyl phosphite Traditional Name: cobaltous; ethylene; 1,2,3,4,5-pentamethylcyclopentane; phosphorous acid trimethyl ester; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Formula: C47H40BCoF24O3P+ MolecularWeight: 1209.498338

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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.C[C]1[C]([C]([C]([C]1C)C)C)C.COP(OC)OC.C=C.[Co+2]

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.C[C]1[C]([C]([C]([C]1C)C)C)C.COP(OC)OC.C=C.[Co+2]

InChI

InChI=1S/C32H12BF24.C10H15.C3H9O3P.C2H4.Co/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;1-6-7(2)9(4)10(5)8(6)3;1-4-7(5-2)6-3;1-2;/h1-12H;1-5H3;1-3H3;1-2H2;/q-1;;;;+2