butane; 9H-fluoren-9-ide; methane; zirconium(3+)

Systemtic Name: butane; 9H-fluoren-9-ide; methane; zirconium(3+) Openeye Name: butane; 9H-fluoren-9-ide; methane; zirconium(3+) CAS Name: butane; 9H-fluoren-9-ide; methane; zirconium(3+) IUPAC Name: butane; 9H-fluoren-9-ide; methane; zirconium(3+) Traditional Name: butane; 9H-fluoren-9-ide; methane; zirconium(3+) Formula: C31H31Zr MolecularWeight: 494.80184

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Descriptors Computed from Structure

Canonical SMILES:

C.CCC[CH2-].[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Zr+3]

Isomeric SMILES

C.CCC[CH2-].[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Zr+3]

InChI

InChI=1S/2C13H9.C4H9.CH4.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-4-2;;/h2*1-9H;1,3-4H2,2H3;1H4;/q3*-1;;+3