benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; diphenylazanide; phenol; silicon; titanium(2+)

Systemtic Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; diphenylazanide; phenol; silicon; titanium(2+) Openeye Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; diphenylazanide; phenol; silicon; titanium(2+) CAS Name: benzene; (3-tert-butyl-1-cyclopenta-1,3-dienyl)benzene; diphenylazanide; phenol; silicon; titanium(2+) IUPAC Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; diphenylazanide; phenol; silicon; titanium(2+) Traditional Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; diphenylazanide; phenol; silicon; titanium(2+) Formula: C51H48N2OSiTi-2 MolecularWeight: 780.89212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CCC(=C1)C2=C[C-]=CC=C2.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.C1=CC=C(C=C1)O.[Si].[Ti+2]

Isomeric SMILES

CC(C)(C)C1=CCC(=C1)C2=C[C-]=CC=C2.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.C1=CC=C(C=C1)O.[Si].[Ti+2]

InChI

InChI=1S/C15H17.2C12H10N.C6H6O.C6H5.Si.Ti/c1-15(2,3)14-10-9-13(11-14)12-7-5-4-6-8-12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;;/h4-5,7-8,10-11H,9H2,1-3H3;2*1-10H;1-5,7H;1-5H;;/q3*-1;;-1;;+2