(Z)-2-methoxy-2,6,6-trimethyl-5-oxidanyl-hept-4-en-3-one; zirconium

Systemtic Name: (Z)-2-methoxy-2,6,6-trimethyl-5-oxidanyl-hept-4-en-3-one; zirconium Openeye Name: (Z)-5-hydroxy-2-methoxy-2,6,6-trimethyl-hept-4-en-3-one; zirconium CAS Name: (Z)-5-hydroxy-2-methoxy-2,6,6-trimethyl-4-hepten-3-one; zirconium IUPAC Name: (Z)-5-hydroxy-2-methoxy-2,6,6-trimethylhept-4-en-3-one; zirconium Traditional Name: (Z)-5-hydroxy-2-methoxy-2,6,6-trimethyl-hept-4-en-3-one; zirconium Formula: C44H80O12Zr MolecularWeight: 892.3228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C11H20O3.Zr/c4*1-10(2,3)8(12)7-9(13)11(4,5)14-6;/h4*7,12H,1-6H3;/b4*8-7-;