tert-butyl-(3,5-dimethylphenyl)azanide; 2-methylisoindole-1,3-diol; titanium(3+)

Systemtic Name: tert-butyl-(3,5-dimethylphenyl)azanide; 2-methylisoindole-1,3-diol; titanium(3+) Openeye Name: tert-butyl-(3,5-dimethylphenyl)azanide; 2-methylisoindole-1,3-diol; titanium(3+) CAS Name: tert-butyl-(3,5-dimethylphenyl)azanide; 2-methylisoindole-1,3-diol; titanium(3+) IUPAC Name: tert-butyl-(3,5-dimethylphenyl)azanide; 2-methylisoindole-1,3-diol; titanium(3+) Traditional Name: tert-butyl-(3,5-dimethylphenyl)azanide; 2-methylisoindole-1,3-diol; titanium(3+) Formula: C81H117N7O2Ti2 MolecularWeight: 1316.57538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CN1C(=C2C=CC=CC2=C1O)O.[Ti+3].[Ti+3]

Isomeric SMILES

CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CN1C(=C2C=CC=CC2=C1O)O.[Ti+3].[Ti+3]

InChI

InChI=1S/6C12H18N.C9H9NO2.2Ti/c6*1-9-6-10(2)8-11(7-9)13-12(3,4)5;1-10-8(11)6-4-2-3-5-7(6)9(10)12;;/h6*6-8H,1-5H3;2-5,11-12H,1H3;;/q6*-1;;2*+3