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

Systemtic Name: 4-phenyl-1,2-dihydroazulen-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: isopropylidenezirconium(2+); 4-phenyl-1,2-dihydroazulen-1-ide; dichloride CAS Name: 4-phenyl-1,2-dihydroazulen-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 4-phenyl-1,2-dihydroazulen-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: isopropylidenezirconium(2+); 4-phenyl-1,2-dihydroazulen-1-ide; dichloride Formula: C35H32Cl2Zr-2 MolecularWeight: 614.75858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H13.C3H6.2ClH.Zr/c2*1-2-7-13(8-3-1)15-11-5-4-9-14-10-6-12-16(14)15;1-3-2;;;/h2*1-5,7-12H,6H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2