2-tert-butyl-4-chloranyl-phenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; silicon; titanium(3+)

Systemtic Name: 2-tert-butyl-4-chloranyl-phenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; silicon; titanium(3+) Openeye Name: 2-tert-butyl-4-chloro-phenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; silicon; titanium(3+) CAS Name: 2-tert-butyl-4-chlorophenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; silicon; titanium(3+) IUPAC Name: 2-tert-butyl-4-chlorophenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; silicon; titanium(3+) Traditional Name: 2-tert-butyl-4-chloro-phenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; silicon; titanium(3+) Formula: C41H44ClN2OSiTi-2 MolecularWeight: 692.20636

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC(C)(C)C1=C(C=CC(=C1)Cl)O.[CH-]1C=CC=C1.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Si].[Ti+3]

Isomeric SMILES

[CH3-].[CH3-].CC(C)(C)C1=C(C=CC(=C1)Cl)O.[CH-]1C=CC=C1.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Si].[Ti+3]

InChI

InChI=1S/2C12H10N.C10H13ClO.C5H5.2CH3.Si.Ti/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)8-6-7(11)4-5-9(8)12;1-2-4-5-3-1;;;;/h2*1-10H;4-6,12H,1-3H3;1-5H;2*1H3;;/q2*-1;;3*-1;;+3