chloranyltitanium(1+); cyclopentane; 2,6-di(propan-2-yl)phenol; 2-methylpropane-2-thiolate

Systemtic Name: chloranyltitanium(1+); cyclopentane; 2,6-di(propan-2-yl)phenol; 2-methylpropane-2-thiolate Openeye Name: chlorotitanium(1+); cyclopentane; 2,6-diisopropylphenol; 2-methylpropane-2-thiolate CAS Name: chlorotitanium(1+); cyclopentane; 2,6-di(propan-2-yl)phenol; 2-methyl-2-propanethiolate IUPAC Name: chlorotitanium(1+); cyclopentane; 2,6-di(propan-2-yl)phenol; 2-methylpropane-2-thiolate Traditional Name: chlorotitanium(1+); cyclopentane; 2,6-diisopropylphenol; 2-methylpropane-2-thiolate Formula: C21H32ClOSTi MolecularWeight: 415.86318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)O.CC(C)(C)[S-].[CH]1[CH][CH][CH][CH]1.Cl[Ti+]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)O.CC(C)(C)[S-].[CH]1[CH][CH][CH][CH]1.Cl[Ti+]

InChI

InChI=1S/C12H18O.C5H5.C4H10S.ClH.Ti/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-2-4-5-3-1;1-4(2,3)5;;/h5-9,13H,1-4H3;1-5H;5H,1-3H3;1H;/q;;;;+2/p-2