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

Systemtic Name: pentane-2,4-diol; [(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; pentane-2,4-diol; zirconium CAS Name: [(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxonium; pentane-2,4-diol; zirconium IUPAC Name: [(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium; pentane-2,4-diol; zirconium Traditional Name: [(Z)-1-tert-butyl-3-hydroxy-4,4-dimethyl-pent-2-enylidene]oxonium; pentane-2,4-diol; zirconium Formula: C16H33O4Zr+ MolecularWeight: 380.65482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20O2.C5H12O2.Zr/c1-10(2,3)8(12)7-9(13)11(4,5)6;1-4(6)3-5(2)7;/h7,12H,1-6H3;4-7H,3H2,1-2H3;/p+1/b8-7-;;