(1R,2R)-N,N'-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II)

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Catalog Number
ACM361346807
Product Name
(1R,2R)-N,N'-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II)
Structure
Structure
CAS
361346-80-7
Category
Heterocyclic Organic Compound
Synonyms
361346-80-7;(1R,2R)-N,N'-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II);(R)-AMAC;B2314;(1R,2R)-N,N'-BIS(2-ACETYL-3-OXO-2-BUTENYLIDENE)- 1,2-DIMESITYLETHYLENEDIAMINATO COBALT (II);
IUPAC Name
(E)-3-[[(1R,2R)-2-[[(E)-2-acetyl-3-oxidobut-2-enylidene]amino]-1,2-bis(2,4,6-trimethylphenyl)ethyl]iminomethyl]-4-oxopent-2-en-2-olate;cobalt(2+);
Molecular Weight
573.599g/mol
Molecular Formula
C32H38CoN2O4;
Canonical SMILES
CC1=CC(=C(C(=C1)C)C(C(C2=C(C=C(C=C2C)C)C)N=CC(=C(C)[O-])C(=O)C)N=CC(=C(C)[O-])C(=O)C)C.[Co+2];
InChI
InChI=1S/C32H40N2O4.Co/c1-17-11-19(3)29(20(4)12-17)31(33-15-27(23(7)35)24(8)36)32(34-16-28(25(9)37)26(10)38)30-21(5)13-18(2)14-22(30)6;/h11-16,31-32,35,37H,1-10H3;/q;+2/p-2/b27-23+,28-25+,33-15 ,34-16 ;/t31-,32-;/m1./s1;
InChI Key
PHCQQLMRNZRDJA-SGIDGJHMSA-L;
Complexity
846
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
2
Exact Mass
573.216g/mol
H-Bond Acceptor
6
Heavy Atom Count
39
Monoisotopic Mass
573.216g/mol
Rotatable Bond Count
9
Topological Polar Surface Area
105A^2
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