cyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); 4,5,6,7-tetrahydro-1H-inden-1-ide

Systemtic Name: cyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); 4,5,6,7-tetrahydro-1H-inden-1-ide Openeye Name: cyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); 4,5,6,7-tetrahydro-1H-inden-1-ide CAS Name: cyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); 4,5,6,7-tetrahydro-1H-inden-1-ide IUPAC Name: cyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); 4,5,6,7-tetrahydro-1H-inden-1-ide Traditional Name: cyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); 4,5,6,7-tetrahydro-1H-inden-1-ide Formula: C22H24Zr MolecularWeight: 379.64996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C1=CC=CC=C1.C1CCC2=C(C1)[CH-]C=C2.C1C=CC=[C-]1

Isomeric SMILES

CC(=[Zr+2])C1=CC=CC=C1.C1CCC2=C(C1)[CH-]C=C2.C1C=CC=[C-]1

InChI

InChI=1S/C9H11.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;/h3,6-7H,1-2,4-5H2;3-7H,1H3;1-3H,4H2;/q-1;;-1;+2