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: C72H126O3Th3 MolecularWeight: 1735.88334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C1C)C)C)C.CC1C(C(C(C1C)C)C)C.CC1C(C(C(C1C)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

CC1C(C(C(C1C)C)C)C.CC1C(C(C(C1C)C)C)C.CC1C(C(C(C1C)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.3C10H20.3Th/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*6-10H,1-5H3;;;