cerium; (3,5-dimethyl-2-oxidanyl-phenyl)-thiophen-2-yl-methanone; 1,10-phenanthroline

Systemtic Name: cerium; (3,5-dimethyl-2-oxidanyl-phenyl)-thiophen-2-yl-methanone; 1,10-phenanthroline Openeye Name: cerium; (2-hydroxy-3,5-dimethyl-phenyl)-(2-thienyl)methanone; 1,10-phenanthroline CAS Name: cerium; (2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone; 1,10-phenanthroline IUPAC Name: cerium; (2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone; 1,10-phenanthroline Traditional Name: cerium; (2-hydroxy-3,5-dimethyl-phenyl)-(2-thienyl)methanone; 1,10-phenanthroline Formula: C25H20CeN2O2S MolecularWeight: 552.6195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)C2=CC=CS2)O)C.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Ce]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)C2=CC=CS2)O)C.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Ce]

InChI

InChI=1S/C13H12O2S.C12H8N2.Ce/c1-8-6-9(2)12(14)10(7-8)13(15)11-4-3-5-16-11;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3-7,14H,1-2H3;1-8H;