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

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

Systemtic Name:4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; diethylazanide; methane; titanium(2+)
Openeye Name:4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; diethylazanide; methane; titanium(2+)
CAS Name:4-(3-tert-butyl-1-cyclopenta-1,3-dienyl)-2-phenylphenol; diethylazanide; methane; titanium(2+)
IUPAC Name:4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenylphenol; diethylazanide; methane; titanium(2+)
Traditional Name:4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; diethylazanide; methane; titanium(2+)
Formula: C30H46N2OTi
MolecularWeight: 498.56604
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H22O.2C4H10N.CH4.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*1-3-5-4-2;;/h4-8,10-14,22H,9H2,1-3H3;2*3-4H2,1-2H3;1H4;/q;2*-1;;+2


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