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2-tert-butyl-4-methyl-phenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+)

2-tert-butyl-4-methyl-phenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+)

Systemtic Name:2-tert-butyl-4-methyl-phenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+)
Openeye Name:2-tert-butyl-4-methyl-phenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+)
CAS Name:2-tert-butyl-4-methylphenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+)
IUPAC Name:2-tert-butyl-4-methylphenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+)
Traditional Name:2-tert-butyl-4-methyl-phenol; carbanide; cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+)
Formula: C43H51N2OTi-2
MolecularWeight: 659.74484
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Descriptors Computed from Structure

Canonical SMILES:

C.[CH3-].[CH3-].CC1=CC(=C(C=C1)O)C(C)(C)C.[CH-]1C=CC=C1.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Ti+3]


Isomeric SMILES

C.[CH3-].[CH3-].CC1=CC(=C(C=C1)O)C(C)(C)C.[CH-]1C=CC=C1.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Ti+3]


InChI

InChI=1S/2C12H10N.C11H16O.C5H5.CH4.2CH3.Ti/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-8-5-6-10(12)9(7-8)11(2,3)4;1-2-4-5-3-1;;;;/h2*1-10H;5-7,12H,1-4H3;1-5H;1H4;2*1H3;/q2*-1;;-1;;2*-1;+3


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