(E)-3-oxidanyl-1,3-diphenyl-prop-2-en-1-one; zirconium; perchlorate

Systemtic Name: (E)-3-oxidanyl-1,3-diphenyl-prop-2-en-1-one; zirconium; perchlorate Openeye Name: (E)-3-hydroxy-1,3-diphenyl-prop-2-en-1-one; zirconium; perchlorate CAS Name: (E)-3-hydroxy-1,3-diphenyl-2-propen-1-one; zirconium; perchlorate IUPAC Name: (E)-3-hydroxy-1,3-diphenylprop-2-en-1-one; zirconium; perchlorate Traditional Name: (E)-3-hydroxy-1,3-diphenyl-prop-2-en-1-one; zirconium; perchlorate Formula: C45H36ClO10Zr- MolecularWeight: 863.43834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.[O-]Cl(=O)(=O)=O.[Zr]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\C(=O)C2=CC=CC=C2)/O.C1=CC=C(C=C1)/C(=C\C(=O)C2=CC=CC=C2)/O.C1=CC=C(C=C1)/C(=C\C(=O)C2=CC=CC=C2)/O.[O-]Cl(=O)(=O)=O.[Zr]

InChI

InChI=1S/3C15H12O2.ClHO4.Zr/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2-1(3,4)5;/h3*1-11,16H;(H,2,3,4,5);/p-1/b3*14-11+;;