2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C34H30Cl2Zr2 MolecularWeight: 691.956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C17H15.2ClH.2Zr/c2*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;;;;/h2*3-12H,2H2,1H3;2*1H;;/q2*-1;;;2*+2/p-2