5-(5-butylcyclopenta-1,4-dien-1-yl)pyrimidine; 2-methylcyclopenta-1,3-diene; zirconium(4+); dichloride

Systemtic Name: 5-(5-butylcyclopenta-1,4-dien-1-yl)pyrimidine; 2-methylcyclopenta-1,3-diene; zirconium(4+); dichloride Openeye Name: 5-(5-butylcyclopenta-1,4-dien-1-yl)pyrimidine; 2-methylcyclopenta-1,3-diene; zirconium(4+); dichloride CAS Name: 5-(5-butyl-1-cyclopenta-1,4-dienyl)pyrimidine; 2-methylcyclopenta-1,3-diene; zirconium(4+); dichloride IUPAC Name: 5-(5-butylcyclopenta-1,4-dien-1-yl)pyrimidine; 2-methylcyclopenta-1,3-diene; zirconium(4+); dichloride Traditional Name: 5-(5-butylcyclopenta-1,4-dien-1-yl)pyrimidine; 2-methylcyclopenta-1,3-diene; zirconium(4+); dichloride Formula: C19H22Cl2N2Zr MolecularWeight: 440.52138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC[C-]=C1C2=CN=CN=C2.CC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=CC[C-]=C1C2=CN=CN=C2.CC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C13H15N2.C6H7.2ClH.Zr/c1-2-3-5-11-6-4-7-13(11)12-8-14-10-15-9-12;1-6-4-2-3-5-6;;;/h6,8-10H,2-5H2,1H3;2,4H,3H2,1H3;2*1H;/q2*-1;;;+4/p-2