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

Systemtic Name: 3,3-diethylpentane-2,4-diol; (Z)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one; titanium Openeye Name: 3,3-diethylpentane-2,4-diol; (Z)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; titanium CAS Name: 3,3-diethylpentane-2,4-diol; (Z)-5-hydroxy-2,2,6,6-tetramethyl-4-hepten-3-one; titanium IUPAC Name: 3,3-diethylpentane-2,4-diol; (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one; titanium Traditional Name: 3,3-diethylpentane-2,4-diol; (Z)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; titanium Formula: C20H40O4Ti MolecularWeight: 392.3962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20O2.C9H20O2.Ti/c1-10(2,3)8(12)7-9(13)11(4,5)6;1-5-9(6-2,7(3)10)8(4)11;/h7,12H,1-6H3;7-8,10-11H,5-6H2,1-4H3;/b8-7-;;