methanidylbenzene; 2-methylcyclopenta-1,3-diene; zirconium(4+)

Systemtic Name: methanidylbenzene; 2-methylcyclopenta-1,3-diene; zirconium(4+) Openeye Name: methanidylbenzene; 2-methylcyclopenta-1,3-diene; zirconium(4+) CAS Name: methanidylbenzene; 2-methylcyclopenta-1,3-diene; zirconium(4+) IUPAC Name: methanidylbenzene; 2-methylcyclopenta-1,3-diene; zirconium(4+) Traditional Name: methanidylbenzene; 2-methylcyclopenta-1,3-diene; zirconium(4+) Formula: C26H28Zr MolecularWeight: 431.72452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.CC1=[C-]CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+4]

Isomeric SMILES

CC1=[C-]CC=C1.CC1=[C-]CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+4]

InChI

InChI=1S/2C7H7.2C6H7.Zr/c2*1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6;/h2*2-6H,1H2;2*2,4H,3H2,1H3;/q4*-1;+4