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

Systemtic Name: (Z)-1,1,1-tris(fluoranyl)-4-oxidanyl-4-phenyl-but-3-en-2-one; zirconium Openeye Name: (Z)-1,1,1-trifluoro-4-hydroxy-4-phenyl-but-3-en-2-one; zirconium CAS Name: (Z)-1,1,1-trifluoro-4-hydroxy-4-phenyl-3-buten-2-one; zirconium IUPAC Name: (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one; zirconium Traditional Name: (Z)-1,1,1-trifluoro-4-hydroxy-4-phenyl-but-3-en-2-one; zirconium Formula: C40H28F12O8Zr MolecularWeight: 955.850358

Click to see the large picture

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

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

InChI

InChI=1S/4C10H7F3O2.Zr/c4*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h4*1-6,14H;/b4*8-6-;