cyclopenta-1,3-diene; methylbenzene; methylbenzene; zirconium(4+)

Systemtic Name: cyclopenta-1,3-diene; methylbenzene; methylbenzene; zirconium(4+) Openeye Name: cyclopenta-1,3-diene; methylbenzene; methylbenzene; zirconium(4+) CAS Name: cyclopenta-1,3-diene; methylbenzene; methylbenzene; zirconium(4+) IUPAC Name: cyclopenta-1,3-diene; methylbenzene; methylbenzene; zirconium(4+) Traditional Name: cyclopenta-1,3-diene; methylbenzene; methylbenzene; zirconium(4+) Formula: C48H48Zr2 MolecularWeight: 807.34272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[C-]C=C1.CC1=CC=[C-]C=C1.CC1=C[C-]=CC=C1.CC1=C[C-]=CC=C1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+4].[Zr+4]

Isomeric SMILES

CC1=CC=[C-]C=C1.CC1=CC=[C-]C=C1.CC1=C[C-]=CC=C1.CC1=C[C-]=CC=C1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+4].[Zr+4]

InChI

InChI=1S/4C7H7.4C5H5.2Zr/c4*1-7-5-3-2-4-6-7;4*1-2-4-5-3-1;;/h2*3-6H,1H3;2*2-3,5-6H,1H3;4*1-3H,4H2;;/q8*-1;2*+4