iron; (Z)-1,1,1-tris(fluoranyl)-4-oxidanyl-4-phenyl-but-3-en-2-one

Systemtic Name: iron; (Z)-1,1,1-tris(fluoranyl)-4-oxidanyl-4-phenyl-but-3-en-2-one Openeye Name: iron; (Z)-1,1,1-trifluoro-4-hydroxy-4-phenyl-but-3-en-2-one CAS Name: iron; (Z)-1,1,1-trifluoro-4-hydroxy-4-phenyl-3-buten-2-one IUPAC Name: iron; (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one Traditional Name: iron; (Z)-1,1,1-trifluoro-4-hydroxy-4-phenyl-but-3-en-2-one Formula: C30H21F9FeO6 MolecularWeight: 704.314769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC(=O)C(F)(F)F)O.C1=CC=C(C=C1)C(=CC(=O)C(F)(F)F)O.C1=CC=C(C=C1)C(=CC(=O)C(F)(F)F)O.[Fe]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C/C(=O)C(F)(F)F)/O.C1=CC=C(C=C1)/C(=C/C(=O)C(F)(F)F)/O.C1=CC=C(C=C1)/C(=C/C(=O)C(F)(F)F)/O.[Fe]

InChI

InChI=1S/3C10H7F3O2.Fe/c3*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h3*1-6,14H;/b3*8-6-;