2-butylcyclopenta-1,3-diene; carbanide; chloranylmethane; zirconium(2+)

Systemtic Name: 2-butylcyclopenta-1,3-diene; carbanide; chloranylmethane; zirconium(2+) Openeye Name: 2-butylcyclopenta-1,3-diene; carbanide; chloromethane; zirconium(2+) CAS Name: 2-butylcyclopenta-1,3-diene; carbanide; chloromethane; zirconium(2+) IUPAC Name: 2-butylcyclopenta-1,3-diene; carbanide; chloromethane; zirconium(2+) Traditional Name: 2-butylcyclopenta-1,3-diene; carbanide; chloromethane; zirconium(2+) Formula: C39H60ClZr2-3 MolecularWeight: 746.7947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.[CH2-]Cl.[Zr+2].[Zr+2]

Isomeric SMILES

[CH3-].[CH3-].CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.[CH2-]Cl.[Zr+2].[Zr+2]

InChI

InChI=1S/4C9H13.CH2Cl.2CH3.2Zr/c4*1-2-3-6-9-7-4-5-8-9;1-2;;;;/h4*4,7H,2-3,5-6H2,1H3;1H2;2*1H3;;/q7*-1;2*+2