4-butylsulfanyl-9H-fluoren-9-ide; cyclopenta-1,3-diene; zirconium(2+); dichloride

Systemtic Name: 4-butylsulfanyl-9H-fluoren-9-ide; cyclopenta-1,3-diene; zirconium(2+); dichloride Openeye Name: 4-butylsulfanyl-9H-fluoren-9-ide; cyclopenta-1,3-diene; zirconium(2+); dichloride CAS Name: 4-(butylthio)-9H-fluoren-9-ide; cyclopenta-1,3-diene; zirconium(2+); dichloride IUPAC Name: 4-butylsulfanyl-9H-fluoren-9-ide; cyclopenta-1,3-diene; zirconium(2+); dichloride Traditional Name: 4-(butylthio)-9H-fluoren-9-ide; cyclopenta-1,3-diene; zirconium(2+); dichloride Formula: C44H44Cl2S2Zr2-2 MolecularWeight: 890.30416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC2=C1C3=CC=CC=C3[CH-]2.CCCCSC1=CC=CC2=C1C3=CC=CC=C3[CH-]2.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCCSC1=CC=CC2=C1C3=CC=CC=C3[CH-]2.CCCCSC1=CC=CC2=C1C3=CC=CC=C3[CH-]2.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C17H17S.2C5H5.2ClH.2Zr/c2*1-2-3-11-18-16-10-6-8-14-12-13-7-4-5-9-15(13)17(14)16;2*1-2-4-5-3-1;;;;/h2*4-10,12H,2-3,11H2,1H3;2*1-3H,4H2;2*1H;;/q4*-1;;;2*+2/p-2