hexakis(chloranyl)titanium(2-); (E)-4-oxidanylpent-3-en-2-one; titanium

Systemtic Name: hexakis(chloranyl)titanium(2-); (E)-4-oxidanylpent-3-en-2-one; titanium Openeye Name: hexachlorotitanium(2-); (E)-4-hydroxypent-3-en-2-one; titanium CAS Name: hexachlorotitanium(2-); (E)-4-hydroxy-3-penten-2-one; titanium IUPAC Name: hexachlorotitanium(2-); (E)-4-hydroxypent-3-en-2-one; titanium Traditional Name: hexachlorotitanium(2-); (E)-4-hydroxypent-3-en-2-one; titanium Formula: C30H48Cl6O12Ti3-2 MolecularWeight: 957.01392

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Descriptors Computed from Structure

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]

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]

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+;;;;;;;;;