2,6-ditert-butyl-4-methyl-phenol; oxolane; phenyl(phenylazanyl)azanide; samarium

Systemtic Name: 2,6-ditert-butyl-4-methyl-phenol; oxolane; phenyl(phenylazanyl)azanide; samarium Openeye Name: anilino(phenyl)azanide; 2,6-ditert-butyl-4-methyl-phenol; samarium; tetrahydrofuran CAS Name: anilino(phenyl)azanide; 2,6-ditert-butyl-4-methylphenol; oxolane; samarium IUPAC Name: anilino(phenyl)azanide; 2,6-ditert-butyl-4-methylphenol; oxolane; samarium Traditional Name: anilino(phenyl)azanide; 2,6-ditert-butyl-4-methyl-phenol; samarium; tetrahydrofuran Formula: C47H62N4O3Sm-2 MolecularWeight: 881.38018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.C1CCOC1.C1CCOC1.C1=CC=C(C=C1)N[N-]C2=CC=CC=C2.C1=CC=C(C=C1)N[N-]C2=CC=CC=C2.[Sm]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.C1CCOC1.C1CCOC1.C1=CC=C(C=C1)N[N-]C2=CC=CC=C2.C1=CC=C(C=C1)N[N-]C2=CC=CC=C2.[Sm]

InChI

InChI=1S/C15H24O.2C12H11N2.2C4H8O.Sm/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;2*1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;2*1-2-4-5-3-1;/h8-9,16H,1-7H3;2*1-10,13H;2*1-4H2;/q;2*-1;;;