Synonyms
259259-80-8;(1S,2S)-N,N'-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II);(S,S)-AMAC;(1S,2S)-N,N inverted exclamation marka-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato cobalt(II);
IUPAC Name
(E)-3-[[(1S,2S)-2-[[(E)-2-acetyl-3-hydroxybut-2-enylidene]amino]-1,2-bis(2,4,6-trimethylphenyl)ethyl]iminomethyl]-4-hydroxypent-3-en-2-one;cobalt;
Molecular Weight
575.615g/mol
Molecular Formula
C32H40CoN2O4;
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];
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;/b27-23+,28-25+,33-15 ,34-16 ;/t31-,32-;/m0./s1;
InChI Key
YQMKZEIIMHVFTI-VURWZECESA-N;
Complexity
883
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
2
Exact Mass
575.232g/mol
H-Bond Acceptor
6
H-Bond Donor
2
Heavy Atom Count
39
Monoisotopic Mass
575.232g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
99.3A^2
