sodium; 2,6-ditert-butylphenolate; 1,2-dimethoxyethane; samarium(3+)

Systemtic Name: sodium; 2,6-ditert-butylphenolate; 1,2-dimethoxyethane; samarium(3+) Openeye Name: sodium; 2,6-ditert-butylphenolate; 1,2-dimethoxyethane; samarium(3+) CAS Name: sodium; 2,6-ditert-butylphenolate; 1,2-dimethoxyethane; samarium(3+) IUPAC Name: sodium; 2,6-ditert-butylphenolate; 1,2-dimethoxyethane; samarium(3+) Traditional Name: sodium; 2,6-ditert-butylphenolate; 1,2-dimethoxyethane; samarium(3+) Formula: C68H114NaO10Sm MolecularWeight: 1264.97653

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)[O-].CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)[O-].CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)[O-].CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)[O-].COCCOC.COCCOC.COCCOC.[Na+].[Sm+3]

Isomeric SMILES

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)[O-].CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)[O-].CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)[O-].CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)[O-].COCCOC.COCCOC.COCCOC.[Na+].[Sm+3]

InChI

InChI=1S/4C14H22O.3C4H10O2.Na.Sm/c4*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;3*1-5-3-4-6-2;;/h4*7-9,15H,1-6H3;3*3-4H2,1-2H3;;/q;;;;;;;+1;+3/p-4