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

Systemtic Name: 2,6-ditert-butyl-4-methyl-phenol; oxolane; 1,2,3,4,5-pentamethylcyclopentane; samarium Openeye Name: 2,6-ditert-butyl-4-methyl-phenol; 1,2,3,4,5-pentamethylcyclopentane; samarium; tetrahydrofuran CAS Name: 2,6-ditert-butyl-4-methylphenol; oxolane; 1,2,3,4,5-pentamethylcyclopentane; samarium IUPAC Name: 2,6-ditert-butyl-4-methylphenol; oxolane; 1,2,3,4,5-pentamethylcyclopentane; samarium Traditional Name: 2,6-ditert-butyl-4-methyl-phenol; 1,2,3,4,5-pentamethylcyclopentane; samarium; tetrahydrofuran Formula: C37H63O4Sm MolecularWeight: 722.25372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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.C1CCOC1.C1CCOC1.C1CCOC1.[Sm]

Isomeric SMILES

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.C1CCOC1.C1CCOC1.C1CCOC1.[Sm]

InChI

InChI=1S/C15H24O.C10H15.3C4H8O.Sm/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-6-7(2)9(4)10(5)8(6)3;3*1-2-4-5-3-1;/h8-9,16H,1-7H3;1-5H3;3*1-4H2;