tert-butyl-(3,5-dimethylphenyl)azanide; 1-(4-methylphenyl)ethenol; titanium(3+)

Systemtic Name: tert-butyl-(3,5-dimethylphenyl)azanide; 1-(4-methylphenyl)ethenol; titanium(3+) Openeye Name: tert-butyl-(3,5-dimethylphenyl)azanide; 1-(p-tolyl)ethenol; titanium(3+) CAS Name: tert-butyl-(3,5-dimethylphenyl)azanide; 1-(4-methylphenyl)ethenol; titanium(3+) IUPAC Name: tert-butyl-(3,5-dimethylphenyl)azanide; 1-(4-methylphenyl)ethenol; titanium(3+) Traditional Name: tert-butyl-(3,5-dimethylphenyl)azanide; 1-(p-tolyl)ethenol; titanium(3+) Formula: C45H64N3OTi MolecularWeight: 710.87616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C)O.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.[Ti+3]

Isomeric SMILES

CC1=CC=C(C=C1)C(=C)O.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.[Ti+3]

InChI

InChI=1S/3C12H18N.C9H10O.Ti/c3*1-9-6-10(2)8-11(7-9)13-12(3,4)5;1-7-3-5-9(6-4-7)8(2)10;/h3*6-8H,1-5H3;3-6,10H,2H2,1H3;/q3*-1;;+3