cyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+) Openeye Name: cyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+) CAS Name: cyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+) Traditional Name: cyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+) Formula: C22H20Zr MolecularWeight: 375.6182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C1=CC=CC=C1.C1C=CC=[C-]1.[CH-]1C=CC2=CC=CC=C21

Isomeric SMILES

CC(=[Zr+2])C1=CC=CC=C1.C1C=CC=[C-]1.[CH-]1C=CC2=CC=CC=C21

InChI

InChI=1S/C9H7.C8H8.C5H5.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;/h1-7H;3-7H,1H3;1-3H,4H2;/q-1;;-1;+2