cerium; 1,10-phenanthroline; (Z)-1,1,1-tris(fluoranyl)-4-oxidanyl-4-thiophen-2-yl-but-3-en-2-one

Systemtic Name: cerium; 1,10-phenanthroline; (Z)-1,1,1-tris(fluoranyl)-4-oxidanyl-4-thiophen-2-yl-but-3-en-2-one Openeye Name: cerium; 1,10-phenanthroline; (Z)-1,1,1-trifluoro-4-hydroxy-4-(2-thienyl)but-3-en-2-one CAS Name: cerium; 1,10-phenanthroline; (Z)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-yl-3-buten-2-one IUPAC Name: cerium; 1,10-phenanthroline; (Z)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one Traditional Name: cerium; 1,10-phenanthroline; (Z)-1,1,1-trifluoro-4-hydroxy-4-(2-thienyl)but-3-en-2-one Formula: C20H13CeF3N2O2S MolecularWeight: 542.50563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CSC(=C1)C(=CC(=O)C(F)(F)F)O.[Ce]

Isomeric SMILES

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CSC(=C1)/C(=C/C(=O)C(F)(F)F)/O.[Ce]

InChI

InChI=1S/C12H8N2.C8H5F3O2S.Ce/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-8H;1-4,12H;/b;5-4-;