1-(2H-azulen-1-id-1-yl)naphthalene; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 1-(2H-azulen-1-id-1-yl)naphthalene; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 1-(2H-azulen-1-id-1-yl)naphthalene; isopropylidenezirconium(2+); dichloride CAS Name: 1-(2H-azulen-1-id-1-yl)naphthalene; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 1-(2H-azulen-1-id-1-yl)naphthalene; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 1-(2H-azulen-1-id-1-yl)naphthalene; isopropylidenezirconium(2+); dichloride Formula: C43H36Cl2Zr-2 MolecularWeight: 714.87594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.C1C=C2C=CC=CC=C2[C-]1C3=CC=CC4=CC=CC=C43.C1C=C2C=CC=CC=C2[C-]1C3=CC=CC4=CC=CC=C43.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.C1C=C2C=CC=CC=C2[C-]1C3=CC=CC4=CC=CC=C43.C1C=C2C=CC=CC=C2[C-]1C3=CC=CC4=CC=CC=C43.[Cl-].[Cl-]

InChI

InChI=1S/2C20H15.C3H6.2ClH.Zr/c2*1-2-7-16-13-14-20(18(16)10-3-1)19-12-6-9-15-8-4-5-11-17(15)19;1-3-2;;;/h2*1-13H,14H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2