cyclopenta-1,3-diene; methylbenzene; zirconium(3+)

Systemtic Name: cyclopenta-1,3-diene; methylbenzene; zirconium(3+) Openeye Name: cyclopenta-1,3-diene; methylbenzene; zirconium(3+) CAS Name: cyclopenta-1,3-diene; methylbenzene; zirconium(3+) IUPAC Name: cyclopenta-1,3-diene; methylbenzene; zirconium(3+) Traditional Name: cyclopenta-1,3-diene; methylbenzene; zirconium(3+) Formula: C19H19Zr MolecularWeight: 338.57816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[C-]C=C1.CC1=CC=[C-]C=C1.C1C=CC=[C-]1.[Zr+3]

Isomeric SMILES

CC1=CC=[C-]C=C1.CC1=CC=[C-]C=C1.C1C=CC=[C-]1.[Zr+3]

InChI

InChI=1S/2C7H7.C5H5.Zr/c2*1-7-5-3-2-4-6-7;1-2-4-5-3-1;/h2*3-6H,1H3;1-3H,4H2;/q3*-1;+3