4-(3-tert-butylcyclopenta-1,3-dien-1-yl)phenol; carbanide; diphenylazanide; methane; titanium(2+)

Systemtic Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)phenol; carbanide; diphenylazanide; methane; titanium(2+) Openeye Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)phenol; carbanide; diphenylazanide; methane; titanium(2+) CAS Name: 4-(3-tert-butyl-1-cyclopenta-1,3-dienyl)phenol; carbanide; diphenylazanide; methane; titanium(2+) IUPAC Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)phenol; carbanide; diphenylazanide; methane; titanium(2+) Traditional Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)phenol; carbanide; diphenylazanide; methane; titanium(2+) Formula: C42H48N2OTi-2 MolecularWeight: 644.71032

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Descriptors Computed from Structure

Canonical SMILES:

C.[CH3-].[CH3-].CC(C)(C)C1=CCC(=C1)C2=CC=C(C=C2)O.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Ti+2]

Isomeric SMILES

C.[CH3-].[CH3-].CC(C)(C)C1=CCC(=C1)C2=CC=C(C=C2)O.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Ti+2]

InChI

InChI=1S/C15H18O.2C12H10N.CH4.2CH3.Ti/c1-15(2,3)13-7-4-12(10-13)11-5-8-14(16)9-6-11;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h5-10,16H,4H2,1-3H3;2*1-10H;1H4;2*1H3;/q;2*-1;;2*-1;+2