Catalog Number:
AG00FD88
Chemical Name:
(1S,2S)-(+)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butylsalicylidene)cobalt(III) p-toluenesulfonate monohydrate
CAS Number:
672306-06-8
Molecular Formula:
C43H59CoN2O5S
Molecular Weight:
774.9372
MDL Number:
MFCD31697576
IUPAC Name:
cobalt(3+);2,4-ditert-butyl-6-[[(1S,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;4-methylbenzenesulfonate
InChI:
InChI=1S/C36H54N2O2.C7H8O3S.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;1-6-2-4-7(5-3-6)11(8,9)10;/h17-22,29-30,39-40H,13-16H2,1-12H3;2-5H,1H3,(H,8,9,10);/q;;+3/p-3/t29-,30+;;
InChI Key:
VPVIMRWIBFMDDY-JVFIQJBRSA-K
SMILES:
Cc1ccc(cc1)S(=O)(=O)[O-][Co+3]123[O-]c4c(C=[N]3[C@@H]3[C@@H]([N]2=Cc2c([O-]1)c(cc(c2)C(C)(C)C)C(C)(C)C)CCCC3)cc(cc4C(C)(C)C)C(C)(C)C
