butane; 1,3-ditert-butyl-5-methyl-benzene-2-ide; oxidanyl(oxidanylidene)titanium; hydrate

Systemtic Name: butane; 1,3-ditert-butyl-5-methyl-benzene-2-ide; oxidanyl(oxidanylidene)titanium; hydrate Openeye Name: butane; 1,3-ditert-butyl-5-methyl-benzene-2-ide; hydroxy(oxo)titanium; hydrate CAS Name: butane; 1,3-ditert-butyl-5-methylbenzene-2-ide; hydroxy(oxo)titanium; hydrate IUPAC Name: butane; 1,3-ditert-butyl-5-methylbenzene-2-ide; hydroxy(oxo)titanium; hydrate Traditional Name: butane; 1,3-ditert-butyl-5-methyl-benzene-2-ide; hydroxy(keto)titanium; hydrate Formula: C38H67O3Ti-4 MolecularWeight: 619.80378

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CC1=CC(=[C-]C(=C1)C(C)(C)C)C(C)(C)C.CC1=CC(=[C-]C(=C1)C(C)(C)C)C(C)(C)C.O.O[Ti]=O

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CC1=CC(=[C-]C(=C1)C(C)(C)C)C(C)(C)C.CC1=CC(=[C-]C(=C1)C(C)(C)C)C(C)(C)C.O.O[Ti]=O

InChI

InChI=1S/2C15H23.2C4H9.2H2O.O.Ti/c2*1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7;2*1-3-4-2;;;;/h2*8-9H,1-7H3;2*1,3-4H2,2H3;2*1H2;;/q4*-1;;;;+1/p-1