cobalt(3+); 2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidanidyl-phenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate; tris(fluoranyl)methanesulfonate

Systemtic Name: cobalt(3+); 2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidanidyl-phenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate; tris(fluoranyl)methanesulfonate Openeye Name: cobaltic; 2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxido-phenyl)methyleneamino]cyclohexyl]iminomethyl]phenolate; trifluoromethanesulfonate CAS Name: cobalt(3+); 2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate; trifluoromethanesulfonate IUPAC Name: cobalt(3+); 2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate; trifluoromethanesulfonate Traditional Name: cobaltic 2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxido-benzylidene)amino]cyclohexyl]iminomethyl]phenolate triflate Formula: C37H52CoF3N2O5S MolecularWeight: 752.81259

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C=NC2CCCCC2N=CC3=CC(=CC(=C3[O-])C(C)(C)C)C(C)(C)C)[O-])C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-].[Co+3]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C=N[C@@H]2CCCC[C@H]2N=CC3=CC(=CC(=C3[O-])C(C)(C)C)C(C)(C)C)[O-])C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-].[Co+3]

InChI

InChI=1S/C36H54N2O2.CHF3O3S.Co/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;2-1(3,4)8(5,6)7;/h17-22,29-30,39-40H,13-16H2,1-12H3;(H,5,6,7);/q;;+3/p-3/t29-,30-;;/m1../s1