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

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

Systemtic Name:2,3-dimethyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; methane; methanolate; titanium(2+)
Openeye Name:2,3-dimethyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; methane; methanolate; titanium(2+)
CAS Name:2,3-dimethyl-4-(3-methyl-1-cyclopenta-1,3-dienyl)phenol; methane; methanolate; titanium(2+)
IUPAC Name:2,3-dimethyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; methane; methanolate; titanium(2+)
Traditional Name:2,3-dimethyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; methane; methanolate; titanium(2+)
Formula: C17H26O3Ti
MolecularWeight: 326.25354
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H16O.2CH3O.CH4.Ti/c1-9-4-5-12(8-9)13-6-7-14(15)11(3)10(13)2;2*1-2;;/h4,6-8,15H,5H2,1-3H3;2*1H3;1H4;/q;2*-1;;+2


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