5,6-dihydro-4H-benzo[e]azulen-3a-ide; zirconium(4+); dichloride

Systemtic Name: 5,6-dihydro-4H-benzo[e]azulen-3a-ide; zirconium(4+); dichloride Openeye Name: 5,6-dihydro-4H-benzo[e]azulen-3a-ide; zirconium(4+); dichloride CAS Name: 5,6-dihydro-4H-benzo[e]azulen-3a-ide; zirconium(4+); dichloride IUPAC Name: 5,6-dihydro-4H-benzo[e]azulen-3a-ide; zirconium(4+); dichloride Traditional Name: 5,6-dihydro-4H-benz[e]azulen-3a-ide; zirconium(4+); dichloride Formula: C28H26Cl2Zr MolecularWeight: 524.63604

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Descriptors Computed from Structure

Canonical SMILES:

C1C[C-]2C=CC=C2C3=CC=CC=C3C1.C1C[C-]2C=CC=C2C3=CC=CC=C3C1.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

C1C[C-]2C=CC=C2C3=CC=CC=C3C1.C1C[C-]2C=CC=C2C3=CC=CC=C3C1.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C14H13.2ClH.Zr/c2*1-2-9-13-11(5-1)6-3-7-12-8-4-10-14(12)13;;;/h2*1-2,4-5,8-10H,3,6-7H2;2*1H;/q2*-1;;;+4/p-2