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
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
