tert-butyl-(3,5-dimethylphenyl)azanide; 1-phenylethenol; titanium(3+)

Systemtic Name: tert-butyl-(3,5-dimethylphenyl)azanide; 1-phenylethenol; titanium(3+) Openeye Name: tert-butyl-(3,5-dimethylphenyl)azanide; 1-phenylethenol; titanium(3+) CAS Name: tert-butyl-(3,5-dimethylphenyl)azanide; 1-phenylethenol; titanium(3+) IUPAC Name: tert-butyl-(3,5-dimethylphenyl)azanide; 1-phenylethenol; titanium(3+) Traditional Name: tert-butyl-(3,5-dimethylphenyl)azanide; 1-phenylethenol; titanium(3+) Formula: C44H62N3OTi MolecularWeight: 696.84958

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

InChI

InChI=1S/3C12H18N.C8H8O.Ti/c3*1-9-6-10(2)8-11(7-9)13-12(3,4)5;1-7(9)8-5-3-2-4-6-8;/h3*6-8H,1-5H3;2-6,9H,1H2;/q3*-1;;+3