Synonyms
MFCD22666045;Tris[di(4-acetoxybenzylidene)acetone]dipalladium(0) di(4-acetoxybenzylidene)acetone adduct;1196118-15-6;
IUPAC Name
[4-[(1E,4E)-5-(4-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate;palladium;
Molecular Weight
1263.95g/mol
Molecular Formula
C63H54O15Pd2;
Canonical SMILES
CC(=O)OC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC(=O)C.CC(=O)OC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC(=O)C.CC(=O)OC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC(=O)C.[Pd].[Pd];
InChI
InChI=1S/3C21H18O5.2Pd/c3*1-15(22)25-20-11-5-17(6-12-20)3-9-19(24)10-4-18-7-13-21(14-8-18)26-16(2)23;;/h3*3-14H,1-2H3;;/b3*9-3+,10-4+;;;
InChI Key
ZDZRMDLJKASIRC-XWSHDVOKSA-N;
Complexity
499
Covalently-Bonded Unit Count
5
Defined Bond Stereocenter Count
6
Exact Mass
1264.154g/mol
H-Bond Acceptor
15
Heavy Atom Count
80
Monoisotopic Mass
1262.153g/mol
Rotatable Bond Count
24
Topological Polar Surface Area
209A^2
