2-methyl-4-phenyl-1H-azulen-1-ide; phenylaluminum(2+); zirconium(4+); dichloride

Systemtic Name: 2-methyl-4-phenyl-1H-azulen-1-ide; phenylaluminum(2+); zirconium(4+); dichloride Openeye Name: 2-methyl-4-phenyl-1H-azulen-1-ide; phenylaluminum(2+); zirconium(4+); dichloride CAS Name: 2-methyl-4-phenyl-1H-azulen-1-ide; phenylaluminum(2+); zirconium(4+); dichloride IUPAC Name: 2-methyl-4-phenyl-1H-azulen-1-ide; phenylaluminum(2+); zirconium(4+); dichloride Traditional Name: 2-methyl-4-phenyl-1H-azulen-1-ide; phenylaluminum(2+); zirconium(4+); dichloride Formula: C40H31AlCl2Zr+2 MolecularWeight: 700.785678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.CC1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.C1=CC=C(C=C1)[Al+2].[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.CC1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.C1=CC=C(C=C1)[Al+2].[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C17H13.C6H5.Al.2ClH.Zr/c2*1-13-11-15-9-5-6-10-16(17(15)12-13)14-7-3-2-4-8-14;1-2-4-6-5-3-1;;;;/h2*2-10,12H,1H3;1-5H;;2*1H;/q2*-1;;+2;;;+4/p-2