3,6-bis(phenylmethyl)-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride

Systemtic Name: 3,6-bis(phenylmethyl)-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Openeye Name: 3,6-dibenzyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride CAS Name: 3,6-bis(phenylmethyl)-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride IUPAC Name: 3,6-dibenzyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Traditional Name: 3,6-dibenzyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Formula: C54H42Cl2Zr2 MolecularWeight: 944.26528

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)CC3=CC=CC=C3)C4=C1[C-]=CC(=C4)CC5=CC=CC=C5.C1C2=C(C=C(C=C2)CC3=CC=CC=C3)C4=C1[C-]=CC(=C4)CC5=CC=CC=C5.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

C1C2=C(C=C(C=C2)CC3=CC=CC=C3)C4=C1[C-]=CC(=C4)CC5=CC=CC=C5.C1C2=C(C=C(C=C2)CC3=CC=CC=C3)C4=C1[C-]=CC(=C4)CC5=CC=CC=C5.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C27H21.2ClH.2Zr/c2*1-3-7-20(8-4-1)15-22-11-13-24-19-25-14-12-23(18-27(25)26(24)17-22)16-21-9-5-2-6-10-21;;;;/h2*1-13,17-18H,15-16,19H2;2*1H;;/q2*-1;;;2*+2/p-2