benzene; 2-tert-butyl-4-methyl-phenol; 1,5-dihydroinden-5-ide; diphenylazanide; silicon; titanium(3+)

Systemtic Name: benzene; 2-tert-butyl-4-methyl-phenol; 1,5-dihydroinden-5-ide; diphenylazanide; silicon; titanium(3+) Openeye Name: benzene; 2-tert-butyl-4-methyl-phenol; 1,5-dihydroinden-5-ide; diphenylazanide; silicon; titanium(3+) CAS Name: benzene; 2-tert-butyl-4-methylphenol; 1,5-dihydroinden-5-ide; diphenylazanide; silicon; titanium(3+) IUPAC Name: benzene; 2-tert-butyl-4-methylphenol; 1,5-dihydroinden-5-ide; diphenylazanide; silicon; titanium(3+) Traditional Name: benzene; 2-tert-butyl-4-methyl-phenol; 1,5-dihydroinden-5-ide; diphenylazanide; silicon; titanium(3+) Formula: C56H53N2OSiTi-2 MolecularWeight: 845.98532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.C1C=CC2=C[C-]=CC=C21.C1=CC=[C-]C=C1.C1=CC=[C-]C=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

CC1=CC(=C(C=C1)O)C(C)(C)C.C1C=CC2=C[C-]=CC=C21.C1=CC=[C-]C=C1.C1=CC=[C-]C=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.C11H16O.C9H7.2C6H5.Si.Ti/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-8-5-6-10(12)9(7-8)11(2,3)4;1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;;/h2*1-10H;5-7,12H,1-4H3;1,3-5,7H,6H2;2*1-5H;;/q2*-1;;3*-1;;+3