2,6-ditert-butylphenol; 1,2,3,4,5-pentamethylcyclopentane; thorium

Systemtic Name: 2,6-ditert-butylphenol; 1,2,3,4,5-pentamethylcyclopentane; thorium Openeye Name: 2,6-ditert-butylphenol; 1,2,3,4,5-pentamethylcyclopentane; thorium CAS Name: 2,6-ditert-butylphenol; 1,2,3,4,5-pentamethylcyclopentane; thorium IUPAC Name: 2,6-ditert-butylphenol; 1,2,3,4,5-pentamethylcyclopentane; thorium Traditional Name: 2,6-ditert-butylphenol; 1,2,3,4,5-pentamethylcyclopentane; thorium Formula: C72H111O3Th3 MolecularWeight: 1720.76424

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O.[Th].[Th].[Th]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O.[Th].[Th].[Th]

InChI

InChI=1S/3C14H22O.3C10H15.3Th/c3*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;3*1-6-7(2)9(4)10(5)8(6)3;;;/h3*7-9,15H,1-6H3;3*1-5H3;;;