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

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

Systemtic Name:carbanide; methane; methanolate; 4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; titanium(2+)
Openeye Name:carbanide; methane; methanolate; 4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; titanium(2+)
CAS Name:carbanide; methane; methanolate; 4-(3-methyl-1-cyclopenta-1,3-dienyl)phenol; titanium(2+)
IUPAC Name:carbanide; methane; methanolate; 4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; titanium(2+)
Traditional Name:carbanide; methane; methanolate; 4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; titanium(2+)
Formula: C17H28O3Ti-2
MolecularWeight: 328.26942
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Descriptors Computed from Structure

Canonical SMILES:

C.[CH3-].[CH3-].CC1=CCC(=C1)C2=CC=C(C=C2)O.C[O-].C[O-].[Ti+2]


Isomeric SMILES

C.[CH3-].[CH3-].CC1=CCC(=C1)C2=CC=C(C=C2)O.C[O-].C[O-].[Ti+2]


InChI

InChI=1S/C12H12O.2CH3O.CH4.2CH3.Ti/c1-9-2-3-11(8-9)10-4-6-12(13)7-5-10;2*1-2;;;;/h2,4-8,13H,3H2,1H3;2*1H3;1H4;2*1H3;/q;2*-1;;2*-1;+2


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