2-methyl-4-phenyl-1,2-dihydroazulen-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 2-methyl-4-phenyl-1,2-dihydroazulen-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: isopropylidenezirconium(2+); 2-methyl-4-phenyl-1,2-dihydroazulen-1-ide; dichloride CAS Name: 2-methyl-4-phenyl-1,2-dihydroazulen-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-methyl-4-phenyl-1,2-dihydroazulen-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: isopropylidenezirconium(2+); 2-methyl-4-phenyl-1,2-dihydroazulen-1-ide; dichloride Formula: C37H36Cl2Zr-2 MolecularWeight: 642.81174

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Descriptors Computed from Structure

Canonical SMILES:

CC1[CH-]C2=CC=CC=C(C2=C1)C3=CC=CC=C3.CC1[CH-]C2=CC=CC=C(C2=C1)C3=CC=CC=C3.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC1[CH-]C2=CC=CC=C(C2=C1)C3=CC=CC=C3.CC1[CH-]C2=CC=CC=C(C2=C1)C3=CC=CC=C3.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/2C17H15.C3H6.2ClH.Zr/c2*1-13-11-15-9-5-6-10-16(17(15)12-13)14-7-3-2-4-8-14;1-3-2;;;/h2*2-13H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2