Synonyms
2,4-Ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;trichlorochromium
IUPAC Name
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;trichlorochromium;
Molecular Weight
705.2
Molecular Formula
C36H54Cl3CrN2O2
Canonical SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=NC2CCCCC2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O.Cl[Cr](Cl)Cl
InChI
InChI=1S/C36H54N2O2.3ClH.Cr/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;/h17-22,29-30,39-40H,13-16H2,1-12H3;3*1H;/q;+3/p-3/t29-,30-;/m1/s1
InChI Key
ABSDVGHEFTVUQG-ZYOJYBKFSA-K
Melting Point
>350 °C
Purity
98%
Appearance
Powder
Complexity
801
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
2
Exact Mass
703.265592
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
44
Isomeric SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=N[C@@H]2CCCC[C@H]2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O.Cl[Cr](Cl)Cl
Monoisotopic Mass
703.265592
Rotatable Bond Count
8
Topological Polar Surface Area
65.2 Ų
