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

Systemtic Name: 2-ethyl-4-phenyl-1,2-dihydroazulen-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2-ethyl-4-phenyl-1,2-dihydroazulen-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: 2-ethyl-4-phenyl-1,2-dihydroazulen-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-ethyl-4-phenyl-1,2-dihydroazulen-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2-ethyl-4-phenyl-1,2-dihydroazulen-1-ide; isopropylidenezirconium(2+); dichloride Formula: C39H40Cl2Zr-2 MolecularWeight: 670.8649

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Descriptors Computed from Structure

Canonical SMILES:

CCC1[CH-]C2=CC=CC=C(C2=C1)C3=CC=CC=C3.CCC1[CH-]C2=CC=CC=C(C2=C1)C3=CC=CC=C3.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCC1[CH-]C2=CC=CC=C(C2=C1)C3=CC=CC=C3.CCC1[CH-]C2=CC=CC=C(C2=C1)C3=CC=CC=C3.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/2C18H17.C3H6.2ClH.Zr/c2*1-2-14-12-16-10-6-7-11-17(18(16)13-14)15-8-4-3-5-9-15;1-3-2;;;/h2*3-14H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2