2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidanidyl-phenyl)methyl]-4-methyl-phenolate; chloranyltitanium(3+); methanolate

Systemtic Name: 2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidanidyl-phenyl)methyl]-4-methyl-phenolate; chloranyltitanium(3+); methanolate Openeye Name: 2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxido-phenyl)methyl]-4-methyl-phenolate; chlorotitanium(3+); methanolate CAS Name: 2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate; chlorotitanium(3+); methanolate IUPAC Name: 2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate; chlorotitanium(3+); methanolate Traditional Name: 2-tert-butyl-6-(3-tert-butyl-5-methyl-2-oxido-benzyl)-4-methyl-phenolate; chlorotitanium(3+); methanolate Formula: C48H66Cl2O6Ti2 MolecularWeight: 905.67404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)[O-])CC2=C(C(=CC(=C2)C)C(C)(C)C)[O-].CC1=CC(=C(C(=C1)C(C)(C)C)[O-])CC2=C(C(=CC(=C2)C)C(C)(C)C)[O-].C[O-].C[O-].Cl[Ti+3].Cl[Ti+3]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)[O-])CC2=C(C(=CC(=C2)C)C(C)(C)C)[O-].CC1=CC(=C(C(=C1)C(C)(C)C)[O-])CC2=C(C(=CC(=C2)C)C(C)(C)C)[O-].C[O-].C[O-].Cl[Ti+3].Cl[Ti+3]

InChI

InChI=1S/2C23H32O2.2CH3O.2ClH.2Ti/c2*1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8;2*1-2;;;;/h2*9-12,24-25H,13H2,1-8H3;2*1H3;2*1H;;/q;;2*-1;;;2*+4/p-6