Tris[di(4-acetoxybenzylidene)acetone]dipalladium(0) di(4-acetoxybenzylidene)acetone adduct

Catalog Number	ACM1196118156-1
CAS	1196118-15-6
Synonyms	[4-[(1E,4E)-5-(4-Acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate
Molecular Weight	1263.93
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;
InChI Key	ZDZRMDLJKASIRC-UHFFFAOYSA-N
Purity	97%
Appearance	Dark purple powder
Complexity	499
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	1264.15364
Heavy Atom Count	80
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1262.15323
Rotatable Bond Count	24
Topological Polar Surface Area	209 Ų