2,6-ditert-butyl-4-methyl-phenol; samarium

Systemtic Name: 2,6-ditert-butyl-4-methyl-phenol; samarium Openeye Name: 2,6-ditert-butyl-4-methyl-phenol; samarium CAS Name: 2,6-ditert-butyl-4-methylphenol; samarium IUPAC Name: 2,6-ditert-butyl-4-methylphenol; samarium Traditional Name: 2,6-ditert-butyl-4-methyl-phenol; samarium Formula: C45H72O3Sm MolecularWeight: 811.41138

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

InChI

InChI=1S/3C15H24O.Sm/c3*1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;/h3*8-9,16H,1-7H3;