benzene; 2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidanidyl-phenyl)methyl]-4-methyl-phenolate; ethanolate; titanium(4+)

Systemtic Name: benzene; 2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidanidyl-phenyl)methyl]-4-methyl-phenolate; ethanolate; titanium(4+) Openeye Name: benzene; 2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxido-phenyl)methyl]-4-methyl-phenolate; ethanolate; titanium(4+) CAS Name: benzene; 2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate; ethanolate; titanium(4+) IUPAC Name: benzene; 2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate; ethanolate; titanium(4+) Traditional Name: benzene; 2-tert-butyl-6-(3-tert-butyl-5-methyl-2-oxido-benzyl)-4-methyl-phenolate; ethanolate; titanium(4+) Formula: C62H80O6Ti2 MolecularWeight: 1017.029

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Descriptors Computed from Structure

Canonical SMILES:

CC[O-].CC[O-].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-].C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Ti+4].[Ti+4]

Isomeric SMILES

CC[O-].CC[O-].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-].C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Ti+4].[Ti+4]

InChI

InChI=1S/2C23H32O2.2C6H5.2C2H5O.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*1-2-4-6-5-3-1;2*1-2-3;;/h2*9-12,24-25H,13H2,1-8H3;2*1-5H;2*2H2,1H3;;/q;;4*-1;2*+4/p-4