propan-2-ol; (E)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one; zirconium

Systemtic Name: propan-2-ol; (E)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one; zirconium Openeye Name: (E)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; propan-2-ol; zirconium CAS Name: (E)-5-hydroxy-2,2,6,6-tetramethyl-4-hepten-3-one; 2-propanol; zirconium IUPAC Name: (E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one; propan-2-ol; zirconium Traditional Name: (E)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; propan-2-ol; zirconium Formula: C36H68O7Zr MolecularWeight: 704.14492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(O)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.CC(/C(=C\C(=O)C(C)(C)C)/O)(C)C.[Zr]

InChI

InChI=1S/3C11H20O2.C3H8O.Zr/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;1-3(2)4;/h3*7,12H,1-6H3;3-4H,1-2H3;/b3*8-7+;;