2-tert-butylphenol; carbanide; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide

Systemtic Name: 2-tert-butylphenol; carbanide; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide Openeye Name: 2-tert-butylphenol; carbanide; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide CAS Name: 2-tert-butylphenol; carbanide; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide IUPAC Name: 2-tert-butylphenol; carbanide; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide Traditional Name: 2-tert-butylphenol; carbanide; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide Formula: C30H39O3Ti-2 MolecularWeight: 495.49586

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Descriptors Computed from Structure

Canonical SMILES:

C.[CH3-].[CH3-].CC(C)(C)C1=CC=CC=C1O.[CH-]1C=CC=C1.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+3]

Isomeric SMILES

C.[CH3-].[CH3-].CC(C)(C)C1=CC=CC=C1O.[CH-]1C=CC=C1.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+3]

InChI

InChI=1S/C10H14O.2C6H6O.C5H5.CH4.2CH3.Ti/c1-10(2,3)8-6-4-5-7-9(8)11;2*7-6-4-2-1-3-5-6;1-2-4-5-3-1;;;;/h4-7,11H,1-3H3;2*1-5,7H;1-5H;1H4;2*1H3;/q;;;-1;;2*-1;+3/p-2