6,6,7,7,8,8,8-heptakis(fluoranyl)-2,2-dimethyl-octane-3,5-dione; [3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanolate; titanium

Systemtic Name: 6,6,7,7,8,8,8-heptakis(fluoranyl)-2,2-dimethyl-octane-3,5-dione; [3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanolate; titanium Openeye Name: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-octane-3,5-dione; (3,4,5,6-tetrahydroxytetrahydropyran-2-yl)methanolate; titanium CAS Name: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione; (3,4,5,6-tetrahydroxy-2-oxanyl)methanolate; titanium IUPAC Name: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione; (3,4,5,6-tetrahydroxyoxan-2-yl)methanolate; titanium Traditional Name: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-octane-3,5-dione; (3,4,5,6-tetrahydroxytetrahydropyran-2-yl)methanolate; titanium Formula: C32H42F14O16Ti-4 MolecularWeight: 996.510925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)[CH-]C(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)[CH-]C(=O)C(C(C(F)(F)F)(F)F)(F)F.C(C1C(C(C(C(O1)O)O)O)O)[O-].C(C1C(C(C(C(O1)O)O)O)O)[O-].[Ti]

Isomeric SMILES

CC(C)(C)C(=O)[CH-]C(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)[CH-]C(=O)C(C(C(F)(F)F)(F)F)(F)F.C(C1C(C(C(C(O1)O)O)O)O)[O-].C(C1C(C(C(C(O1)O)O)O)O)[O-].[Ti]

InChI

InChI=1S/2C10H10F7O2.2C6H11O6.Ti/c2*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;2*7-1-2-3(8)4(9)5(10)6(11)12-2;/h2*4H,1-3H3;2*2-6,8-11H,1H2;/q4*-1;