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

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

Systemtic Name:4-(3-tert-butylcyclopenta-1,3-dien-1-yl)phenol; carbanide; methane; methanolate; titanium(2+)
Openeye Name:4-(3-tert-butylcyclopenta-1,3-dien-1-yl)phenol; carbanide; methane; methanolate; titanium(2+)
CAS Name:4-(3-tert-butyl-1-cyclopenta-1,3-dienyl)phenol; carbanide; methane; methanolate; titanium(2+)
IUPAC Name:4-(3-tert-butylcyclopenta-1,3-dien-1-yl)phenol; carbanide; methane; methanolate; titanium(2+)
Traditional Name:4-(3-tert-butylcyclopenta-1,3-dien-1-yl)phenol; carbanide; methane; methanolate; titanium(2+)
Formula: C20H34O3Ti-2
MolecularWeight: 370.34916
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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.C[O-].C[O-].[Ti+2]


Isomeric SMILES

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


InChI

InChI=1S/C15H18O.2CH3O.CH4.2CH3.Ti/c1-15(2,3)13-7-4-12(10-13)11-5-8-14(16)9-6-11;2*1-2;;;;/h5-10,16H,4H2,1-3H3;2*1H3;1H4;2*1H3;/q;2*-1;;2*-1;+2


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