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

Systemtic Name: 2,3-dimethylcyclopenta-1,3-diene; methanidylbenzene; zirconium(4+) Openeye Name: 2,3-dimethylcyclopenta-1,3-diene; methanidylbenzene; zirconium(4+) CAS Name: 2,3-dimethylcyclopenta-1,3-diene; methanidylbenzene; zirconium(4+) IUPAC Name: 2,3-dimethylcyclopenta-1,3-diene; methanidylbenzene; zirconium(4+) Traditional Name: 2,3-dimethylcyclopenta-1,3-diene; methanidylbenzene; zirconium(4+) Formula: C28H32Zr MolecularWeight: 459.77768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[C-]=C1C.CC1=CC[C-]=C1C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+4]

Isomeric SMILES

CC1=CC[C-]=C1C.CC1=CC[C-]=C1C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+4]

InChI

InChI=1S/2C7H9.2C7H7.Zr/c2*1-6-4-3-5-7(6)2;2*1-7-5-3-2-4-6-7;/h2*4H,3H2,1-2H3;2*2-6H,1H2;/q4*-1;+4