1,9-dihydrofluoren-1-ide; methyl ethanoate; zirconium(2+); trichloride

Systemtic Name: 1,9-dihydrofluoren-1-ide; methyl ethanoate; zirconium(2+); trichloride Openeye Name: 1,9-dihydrofluoren-1-ide; methyl acetate; zirconium(2+); trichloride CAS Name: acetic acid methyl ester; 1,9-dihydrofluoren-1-ide; zirconium(2+); trichloride IUPAC Name: 1,9-dihydrofluoren-1-ide; methyl acetate; zirconium(2+); trichloride Traditional Name: acetic acid methyl ester; 1,9-dihydrofluoren-1-ide; zirconium(2+); trichloride Formula: C48H42Cl3O6Zr3-3 MolecularWeight: 1094.87448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[CH2-].COC(=O)[CH2-].COC(=O)[CH2-].C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

COC(=O)[CH2-].COC(=O)[CH2-].COC(=O)[CH2-].C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C13H9.3C3H5O2.3ClH.3Zr/c3*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*1-3(4)5-2;;;;;;/h3*1-5,7-8H,9H2;3*1H2,2H3;3*1H;;;/q6*-1;;;;3*+2/p-3