2-tert-butylphenol; carbanide; 1,5-dihydroinden-5-ide; diphenylazanide; silicon; titanium(3+)

Systemtic Name: 2-tert-butylphenol; carbanide; 1,5-dihydroinden-5-ide; diphenylazanide; silicon; titanium(3+) Openeye Name: 2-tert-butylphenol; carbanide; 1,5-dihydroinden-5-ide; diphenylazanide; silicon; titanium(3+) CAS Name: 2-tert-butylphenol; carbanide; 1,5-dihydroinden-5-ide; diphenylazanide; silicon; titanium(3+) IUPAC Name: 2-tert-butylphenol; carbanide; 1,5-dihydroinden-5-ide; diphenylazanide; silicon; titanium(3+) Traditional Name: 2-tert-butylphenol; carbanide; 1,5-dihydroinden-5-ide; diphenylazanide; silicon; titanium(3+) Formula: C45H47N2OSiTi-2 MolecularWeight: 707.81998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC(C)(C)C1=CC=CC=C1O.C1C=CC2=C[C-]=CC=C21.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=CC=CC=C1O.C1C=CC2=C[C-]=CC=C21.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.C10H14O.C9H7.2CH3.Si.Ti/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)8-6-4-5-7-9(8)11;1-2-5-9-7-3-6-8(9)4-1;;;;/h2*1-10H;4-7,11H,1-3H3;1,3-5,7H,6H2;2*1H3;;/q2*-1;;3*-1;;+3