(1R,2R)-N,N'-Bis[3-oxo-2-(2,4,6-trimethylbenzoyl)butylidene]-1,2-diphenylethylenediaminato Cobalt(II)

• CAS: 212250-92-5
• Catalog Number: ACM212250925
• Category: Other Products
• Molecular Weight: 697.741g/mol
• Molecular Formula: C42H42CoN2O4
• Synonyms: (1R,2R)-N,N'-Bis[3-oxo-2-(2,4,6-trimethylbenzoyl)butylidene]-1,2-diphenylethylenediaminato Cobalt(II);212250-92-5;(R)-MPAC;N,N'-Bis[2-(mesitoyl)-3-oxobutylidene]-(1R,2R)-1,2-diphenylethylenediaminato Cobalt(II)
• IUPAC Name: cobalt(2+);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate
• Canonical SMILES: CC1=CC(=C(C(=C1)C)C(=C(C=NC(C2=CC=CC=C2)C(C3=CC=CC=C3)N=CC(=C(C4=C(C=C(C=C4C)C)C)[O-])C(=O)C)C(=O)C)[O-])C.[Co+2]
• InChI: InChI=1S/C42H44N2O4.Co/c1-25-19-27(3)37(28(4)20-25)41(47)35(31(7)45)23-43-39(33-15-11-9-12-16-33)40(34-17-13-10-14-18-34)44-24-36(32(8)46)42(48)38-29(5)21-26(2)22-30(38)6;/h9-24,39-40,47-48H,1-8H3;/q;+2/p-2/b41-35-,42-36-,43-23 ,44-24 ;/t39-,40-;/m1./s1
• InChI Key: IVLZDUIPGQHPFO-KAUPXZLTSA-L
• Complexity: 1100
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 2
• Exact Mass: 697.248g/mol
• H-Bond Acceptor: 6
• Heavy Atom Count: 49
• Monoisotopic Mass: 697.248g/mol
• Rotatable Bond Count: 11
• Topological Polar Surface Area: 105A^2