2-methylpentane-2,4-diol; (Z)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one; titanium

Systemtic Name: 2-methylpentane-2,4-diol; (Z)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one; titanium Openeye Name: (Z)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; 2-methylpentane-2,4-diol; titanium CAS Name: (Z)-5-hydroxy-2,2,6,6-tetramethyl-4-hepten-3-one; 2-methylpentane-2,4-diol; titanium IUPAC Name: (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one; 2-methylpentane-2,4-diol; titanium Traditional Name: (Z)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; 2-methylpentane-2,4-diol; titanium Formula: C28H54O6Ti MolecularWeight: 534.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)O)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Ti]

Isomeric SMILES

CC(O)CC(O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.[Ti]

InChI

InChI=1S/2C11H20O2.C6H14O2.Ti/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-5(7)4-6(2,3)8;/h2*7,12H,1-6H3;5,7-8H,4H2,1-3H3;/b2*8-7-;;