9-prop-2-enyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride

Systemtic Name: 9-prop-2-enyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Openeye Name: 9-allyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride CAS Name: 9-prop-2-enyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride IUPAC Name: 9-prop-2-enyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Traditional Name: 9-allyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Formula: C64H52Cl2Zr2-2 MolecularWeight: 1074.45168

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1C2=CC=CC=C2C3=C1[C-]=CC=C3.C=CCC1C2=CC=CC=C2C3=C1[C-]=CC=C3.C=CCC1C2=CC=CC=C2C3=C1[C-]=CC=C3.C=CCC1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

C=CCC1C2=CC=CC=C2C3=C1[C-]=CC=C3.C=CCC1C2=CC=CC=C2C3=C1[C-]=CC=C3.C=CCC1C2=CC=CC=C2C3=C1[C-]=CC=C3.C=CCC1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C16H13.2ClH.2Zr/c4*1-2-7-12-13-8-3-5-10-15(13)16-11-6-4-9-14(12)16;;;;/h4*2-6,8,10-12H,1,7H2;2*1H;;/q4*-1;;;2*+2/p-2