oxolane; samarium; 2,4,6-tri(propan-2-yl)benzenethiolate

Systemtic Name: oxolane; samarium; 2,4,6-tri(propan-2-yl)benzenethiolate Openeye Name: samarium; tetrahydrofuran; 2,4,6-triisopropylbenzenethiolate CAS Name: oxolane; samarium; 2,4,6-tri(propan-2-yl)benzenethiolate IUPAC Name: oxolane; samarium; 2,4,6-tri(propan-2-yl)benzenethiolate Traditional Name: samarium; tetrahydrofuran; 2,4,6-triisopropylbenzenethiolate Formula: C84H140O6S4Sm2-4 MolecularWeight: 1674.9868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)[S-])C(C)C.CC(C)C1=CC(=C(C(=C1)C(C)C)[S-])C(C)C.CC(C)C1=CC(=C(C(=C1)C(C)C)[S-])C(C)C.CC(C)C1=CC(=C(C(=C1)C(C)C)[S-])C(C)C.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[Sm].[Sm]

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)[S-])C(C)C.CC(C)C1=CC(=C(C(=C1)C(C)C)[S-])C(C)C.CC(C)C1=CC(=C(C(=C1)C(C)C)[S-])C(C)C.CC(C)C1=CC(=C(C(=C1)C(C)C)[S-])C(C)C.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[Sm].[Sm]

InChI

InChI=1S/4C15H24S.6C4H8O.2Sm/c4*1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6;6*1-2-4-5-3-1;;/h4*7-11,16H,1-6H3;6*1-4H2;;/p-4