2,6-ditert-butyl-4-methyl-phenol; 1,2,3,4,5-pentamethylcyclopentane; samarium

Systemtic Name: 2,6-ditert-butyl-4-methyl-phenol; 1,2,3,4,5-pentamethylcyclopentane; samarium Openeye Name: 2,6-ditert-butyl-4-methyl-phenol; 1,2,3,4,5-pentamethylcyclopentane; samarium CAS Name: 2,6-ditert-butyl-4-methylphenol; 1,2,3,4,5-pentamethylcyclopentane; samarium IUPAC Name: 2,6-ditert-butyl-4-methylphenol; 1,2,3,4,5-pentamethylcyclopentane; samarium Traditional Name: 2,6-ditert-butyl-4-methyl-phenol; 1,2,3,4,5-pentamethylcyclopentane; samarium Formula: C50H78O2Sm2 MolecularWeight: 1011.87312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.CC1=CC(=C(C(=C1)C(C)(C)C)O)C(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.[Sm].[Sm]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.CC1=CC(=C(C(=C1)C(C)(C)C)O)C(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.[Sm].[Sm]

InChI

InChI=1S/2C15H24O.2C10H15.2Sm/c2*1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;2*1-6-7(2)9(4)10(5)8(6)3;;/h2*8-9,16H,1-7H3;2*1-5H3;;