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;
Molecular Weight
697.741g/mol
Molecular Formula
C42H42CoN2O4;
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
