2,6-ditert-butyl-4-methyl-phenolate; 1,2-dimethoxyethane; oxolane; samarium(3+); tetraphenylboranuide

Systemtic Name: 2,6-ditert-butyl-4-methyl-phenolate; 1,2-dimethoxyethane; oxolane; samarium(3+); tetraphenylboranuide Openeye Name: 2,6-ditert-butyl-4-methyl-phenolate; 1,2-dimethoxyethane; samarium(3+); tetrahydrofuran; tetraphenylboranuide CAS Name: 2,6-ditert-butyl-4-methylphenolate; 1,2-dimethoxyethane; oxolane; samarium(3+); tetraphenylboranuide IUPAC Name: 2,6-ditert-butyl-4-methylphenolate; 1,2-dimethoxyethane; oxolane; samarium(3+); tetraphenylboranuide Traditional Name: 2,6-ditert-butyl-4-methyl-phenolate; 1,2-dimethoxyethane; samarium(3+); tetrahydrofuran; tetraphenylboranuide Formula: C66H94BO7Sm MolecularWeight: 1160.61936

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.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.COCCOC.COCCOC.C1CCOC1.[Sm+3]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.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.COCCOC.COCCOC.C1CCOC1.[Sm+3]

InChI

InChI=1S/C24H20B.2C15H24O.2C4H10O2.C4H8O.Sm/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;2*1-5-3-4-6-2;1-2-4-5-3-1;/h1-20H;2*8-9,16H,1-7H3;2*3-4H2,1-2H3;1-4H2;/q-1;;;;;;+3/p-2