ethanol; [(Z)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-ylidene]oxidanium; zirconium

Systemtic Name: ethanol; [(Z)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-ylidene]oxidanium; zirconium Openeye Name: [(Z)-1-tert-butyl-3-hydroxy-4,4-dimethyl-pent-2-enylidene]oxonium; ethanol; zirconium CAS Name: ethanol; [(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxonium; zirconium IUPAC Name: ethanol; [(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium; zirconium Traditional Name: [(Z)-1-tert-butyl-3-hydroxy-4,4-dimethyl-pent-2-enylidene]oxonium; ethanol; zirconium Formula: C13H27O3Zr+ MolecularWeight: 322.57568

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC(C)(C)C(=CC(=[OH+])C(C)(C)C)O.[Zr]

Isomeric SMILES

CCO.CC(C)(C)/C(=C/C(=[OH+])C(C)(C)C)/O.[Zr]

InChI

InChI=1S/C11H20O2.C2H6O.Zr/c1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-3;/h7,12H,1-6H3;3H,2H2,1H3;/p+1/b8-7-;;