2-butylcyclopenta-1,3-diene; butyl hypochlorite; zirconium(2+)

Systemtic Name: 2-butylcyclopenta-1,3-diene; butyl hypochlorite; zirconium(2+) Openeye Name: 2-butylcyclopenta-1,3-diene; butyl hypochlorite; zirconium(2+) CAS Name: 2-butylcyclopenta-1,3-diene; hypochlorous acid butyl ester; zirconium(2+) IUPAC Name: 2-butylcyclopenta-1,3-diene; butyl hypochlorite; zirconium(2+) Traditional Name: 2-butylcyclopenta-1,3-diene; hypochlorous acid butyl ester; zirconium(2+) Formula: C22H35ClOZr MolecularWeight: 442.1897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCOCl.[Zr+2]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCOCl.[Zr+2]

InChI

InChI=1S/2C9H13.C4H9ClO.Zr/c2*1-2-3-6-9-7-4-5-8-9;1-2-3-4-6-5;/h2*4,7H,2-3,5-6H2,1H3;2-4H2,1H3;/q2*-1;;+2