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

Systemtic Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; carbanide; methane; titanium(2+); diphenoxide Openeye Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; carbanide; methane; titanium(2+); diphenoxide CAS Name: 4-(3-tert-butyl-1-cyclopenta-1,3-dienyl)-2-phenylphenol; carbanide; methane; titanium(2+); diphenoxide IUPAC Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenylphenol; carbanide; methane; titanium(2+); diphenoxide Traditional Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; carbanide; methane; titanium(2+); diphenoxide Formula: C36H42O3Ti-2 MolecularWeight: 570.58388

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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)C3=CC=CC=C3.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+2]

Isomeric SMILES

C.[CH3-].[CH3-].CC(C)(C)C1=CCC(=C1)C2=CC(=C(C=C2)O)C3=CC=CC=C3.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+2]

InChI

InChI=1S/C21H22O.2C6H6O.CH4.2CH3.Ti/c1-21(2,3)18-11-9-16(13-18)17-10-12-20(22)19(14-17)15-7-5-4-6-8-15;2*7-6-4-2-1-3-5-6;;;;/h4-8,10-14,22H,9H2,1-3H3;2*1-5,7H;1H4;2*1H3;/q;;;;2*-1;+2/p-2