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Tetrakis[N-tetrachlorophthaloyl-(S)-tert-leucinato]dirhodium bis(ethyl acetate) adduct

Catalog Number ACM515876718
CAS 515876-71-8
Synonyms Tetrakis[n-tetrachlorophthaloyl-(s)-tert-leucinato]dirhodium
Molecular Weight 1798
Molecular Formula C56H40Cl16N4O16Rh2
Canonical SMILES CC(C)(C)C(C(=O)[O-])N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl.CC(C)(C)C(C(=O)[O-])N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl.CC(C)(C)C(C(=O)[O-])N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl.CC(C)(C)C(C(=O)[O-])N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl.[Rh+2].[Rh+2]
InChI InChI=1S/4C14H11Cl4NO4.2Rh/c4*1-14(2,3)10(13(22)23)19-11(20)4-5(12(19)21)7(16)9(18)8(17)6(4)15;/h4*10H,1-3H3,(H,22,23);/q;2*+2/p-4
InChI Key VOPFDGCIUABLIB-UHFFFAOYSA-J
Purity 98%+
Complexity 2450
Covalently-Bonded Unit Count 6
Defined Atom Stereocenter Count 0
Exact Mass 1797.54476
Heavy Atom Count 94
Hydrogen Bond Acceptor Count 16
Hydrogen Bond Donor Count 0
Monoisotopic Mass 1789.55656
Rotatable Bond Count 12
Topological Polar Surface Area 310 Ų

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