Bis[tris(2,4-pentanedionato)titanium(IV)] Hexachlorotitanate(IV)

Catalog Number	ACM12088572-2
CAS	12088-57-2
Structure
Synonyms	Hexachlorotitanium(2-);(Z)-4-hydroxypent-3-en-2-one;titanium
Molecular Weight	957
Molecular Formula	C30H48Cl6O12Ti3
Canonical SMILES	CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.Cl[Ti-2](Cl)(Cl)(Cl)(Cl)Cl.[Ti].[Ti]
InChI	InChI=1S/6C5H8O2.6ClH.3Ti/c6*1-4(6)3-5(2)7;/h6*3,6H,1-2H3;6*1H;/q;+4/p-6/b6*4-3-;
InChI Key	FXHBKUDRXITDHU-YAHVWVNOSA-H
Purity	97%
Exact Mass	955.968565
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	6
Isomeric SMILES	C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.Cl[Ti-2](Cl)(Cl)(Cl)(Cl)Cl.[Ti].[Ti]
Monoisotopic Mass	953.971515
Rotatable Bond Count	6
Topological Polar Surface Area	224 Ų