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

Systemtic Name: 2,6-ditert-butyl-4-methyl-phenol; oxolane; samarium Openeye Name: 2,6-ditert-butyl-4-methyl-phenol; samarium; tetrahydrofuran CAS Name: 2,6-ditert-butyl-4-methylphenol; oxolane; samarium IUPAC Name: 2,6-ditert-butyl-4-methylphenol; oxolane; samarium Traditional Name: 2,6-ditert-butyl-4-methyl-phenol; samarium; tetrahydrofuran Formula: C42H72O5Sm MolecularWeight: 807.37808

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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.C1CCOC1.C1CCOC1.C1CCOC1.[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.C1CCOC1.C1CCOC1.C1CCOC1.[Sm]

InChI

InChI=1S/2C15H24O.3C4H8O.Sm/c2*1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;3*1-2-4-5-3-1;/h2*8-9,16H,1-7H3;3*1-4H2;