5-tert-butylcyclopenta-1,3-diene; ethynylbenzene; zirconium

Systemtic Name: 5-tert-butylcyclopenta-1,3-diene; ethynylbenzene; zirconium Openeye Name: 5-tert-butylcyclopenta-1,3-diene; ethynylbenzene; zirconium CAS Name: 5-tert-butylcyclopenta-1,3-diene; ethynylbenzene; zirconium IUPAC Name: 5-tert-butylcyclopenta-1,3-diene; ethynylbenzene; zirconium Traditional Name: 5-tert-butylcyclopenta-1,3-diene; ethynylbenzene; zirconium Formula: C34H36Zr-4 MolecularWeight: 535.87364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[C-]1C=CC=C1.CC(C)(C)[C-]1C=CC=C1.[C-]#CC1=CC=CC=C1.[C-]#CC1=CC=CC=C1.[Zr]

Isomeric SMILES

CC(C)(C)[C-]1C=CC=C1.CC(C)(C)[C-]1C=CC=C1.[C-]#CC1=CC=CC=C1.[C-]#CC1=CC=CC=C1.[Zr]

InChI

InChI=1S/2C9H13.2C8H5.Zr/c2*1-9(2,3)8-6-4-5-7-8;2*1-2-8-6-4-3-5-7-8;/h2*4-7H,1-3H3;2*3-7H;/q4*-1;