1,2-diphenylethane-1,2-diol; praseodymium; 2,2,6,6-tetramethylheptane-3,5-diol

Systemtic Name: 1,2-diphenylethane-1,2-diol; praseodymium; 2,2,6,6-tetramethylheptane-3,5-diol Openeye Name: 1,2-diphenylethane-1,2-diol; praseodymium; 2,2,6,6-tetramethylheptane-3,5-diol CAS Name: 1,2-diphenylethane-1,2-diol; praseodymium; 2,2,6,6-tetramethylheptane-3,5-diol IUPAC Name: 1,2-diphenylethane-1,2-diol; praseodymium; 2,2,6,6-tetramethylheptane-3,5-diol Traditional Name: 1,2-diphenylethane-1,2-diol; praseodymium; 2,2,6,6-tetramethylheptane-3,5-diol Formula: C47H86O8Pr MolecularWeight: 920.08859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(C(C)(C)C)O)O.CC(C)(C)C(CC(C(C)(C)C)O)O.CC(C)(C)C(CC(C(C)(C)C)O)O.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O.[Pr]

Isomeric SMILES

CC(C)(C)C(CC(C(C)(C)C)O)O.CC(C)(C)C(CC(C(C)(C)C)O)O.CC(C)(C)C(CC(C(C)(C)C)O)O.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O.[Pr]

InChI

InChI=1S/C14H14O2.3C11H24O2.Pr/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h1-10,13-16H;3*8-9,12-13H,7H2,1-6H3;