cyclopenta-1,3-diene; 2-ethylphenol; methylidenezirconium

Systemtic Name: cyclopenta-1,3-diene; 2-ethylphenol; methylidenezirconium Openeye Name: cyclopenta-1,3-diene; 2-ethylphenol; methylenezirconium CAS Name: cyclopenta-1,3-diene; 2-ethylphenol; methylenezirconium IUPAC Name: cyclopenta-1,3-diene; 2-ethylphenol; methylidenezirconium Traditional Name: cyclopenta-1,3-diene; 2-ethylphenol; methylenezirconium Formula: C27H32O2Zr-2 MolecularWeight: 479.76578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1O.CCC1=CC=CC=C1O.C=[Zr].C1C=CC=[C-]1.C1C=CC=[C-]1

Isomeric SMILES

CCC1=CC=CC=C1O.CCC1=CC=CC=C1O.C=[Zr].C1C=CC=[C-]1.C1C=CC=[C-]1

InChI

InChI=1S/2C8H10O.2C5H5.CH2.Zr/c2*1-2-7-5-3-4-6-8(7)9;2*1-2-4-5-3-1;;/h2*3-6,9H,2H2,1H3;2*1-3H,4H2;1H2;/q;;2*-1;;