oxolane; 1,2,3,4,5-pentamethylcyclopentane; samarium; terephthalic acid

Systemtic Name: oxolane; 1,2,3,4,5-pentamethylcyclopentane; samarium; terephthalic acid Openeye Name: 1,2,3,4,5-pentamethylcyclopentane; samarium; terephthalic acid; tetrahydrofuran CAS Name: oxolane; 1,2,3,4,5-pentamethylcyclopentane; samarium; terephthalic acid IUPAC Name: oxolane; 1,2,3,4,5-pentamethylcyclopentane; samarium; terephthalic acid Traditional Name: 1,2,3,4,5-pentamethylcyclopentane; samarium; terephthalic acid; tetrahydrofuran Formula: C56H82O6Sm2 MolecularWeight: 1151.96668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)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.C[C]1[C]([C]([C]([C]1C)C)C)C.C1CCOC1.C1CCOC1.C1=CC(=CC=C1C(=O)O)C(=O)O.[Sm].[Sm]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)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.C[C]1[C]([C]([C]([C]1C)C)C)C.C1CCOC1.C1CCOC1.C1=CC(=CC=C1C(=O)O)C(=O)O.[Sm].[Sm]

InChI

InChI=1S/4C10H15.C8H6O4.2C4H8O.2Sm/c4*1-6-7(2)9(4)10(5)8(6)3;9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-2-4-5-3-1;;/h4*1-5H3;1-4H,(H,9,10)(H,11,12);2*1-4H2;;