Synonyms
52552-56-4;DTXSID10746422;(1E,3Z)-1,5-Bis(4-methoxyphenyl)penta-1,3-dien-3-ol--palladium (3/2);Tris[|I-[(1,2-|C:4,5-|C)-(1E,4E)-1,5-bis(4-methoxyphenyl)-1,4-pentadien-3-one]]di-palladium;
IUPAC Name
(1E,3Z)-1,5-bis(4-methoxyphenyl)penta-1,3-dien-3-ol;palladium;
Molecular Weight
1101.938g/mol
Molecular Formula
C57H60O9Pd2;
Canonical SMILES
COC1=CC=C(C=C1)CC=C(C=CC2=CC=C(C=C2)OC)O.COC1=CC=C(C=C1)CC=C(C=CC2=CC=C(C=C2)OC)O.COC1=CC=C(C=C1)CC=C(C=CC2=CC=C(C=C2)OC)O.[Pd].[Pd];
InChI
InChI=1S/3C19H20O3.2Pd/c3*1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16;;/h3*3,5-14,20H,4H2,1-2H3;;/b3*9-3+,17-10-;;;
InChI Key
PJXCZUPYHVVMKT-XPVREBRCSA-N;
Complexity
359
Covalently-Bonded Unit Count
5
Defined Bond Stereocenter Count
6
Exact Mass
1102.231g/mol
H-Bond Acceptor
9
H-Bond Donor
3
Heavy Atom Count
68
Monoisotopic Mass
1100.231g/mol
Rotatable Bond Count
18
Topological Polar Surface Area
116A^2
