2-butylcyclopenta-1,3-diene; methanidylbenzene; zirconium(3+); chloride

Systemtic Name: 2-butylcyclopenta-1,3-diene; methanidylbenzene; zirconium(3+); chloride Openeye Name: 2-butylcyclopenta-1,3-diene; methanidylbenzene; zirconium(3+); chloride CAS Name: 2-butylcyclopenta-1,3-diene; methanidylbenzene; zirconium(3+); chloride IUPAC Name: 2-butylcyclopenta-1,3-diene; methanidylbenzene; zirconium(3+); chloride Traditional Name: 2-butylcyclopenta-1,3-diene; methanidylbenzene; zirconium(3+); chloride Formula: C25H33ClZr- MolecularWeight: 460.20652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.[CH2-]C1=CC=CC=C1.[Cl-].[Zr+3]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.[CH2-]C1=CC=CC=C1.[Cl-].[Zr+3]

InChI

InChI=1S/2C9H13.C7H7.ClH.Zr/c2*1-2-3-6-9-7-4-5-8-9;1-7-5-3-2-4-6-7;;/h2*4,7H,2-3,5-6H2,1H3;2-6H,1H2;1H;/q3*-1;;+3/p-1