2-ethylcyclopenta-1,3-diene; 3-ethylphenol; zirconium(2+)

Systemtic Name: 2-ethylcyclopenta-1,3-diene; 3-ethylphenol; zirconium(2+) Openeye Name: 2-ethylcyclopenta-1,3-diene; 3-ethylphenol; zirconium(2+) CAS Name: 2-ethylcyclopenta-1,3-diene; 3-ethylphenol; zirconium(2+) IUPAC Name: 2-ethylcyclopenta-1,3-diene; 3-ethylphenol; zirconium(2+) Traditional Name: 2-ethylcyclopenta-1,3-diene; 3-ethylphenol; zirconium(2+) Formula: C30H38O2Zr MolecularWeight: 521.84552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)O.CCC1=CC(=CC=C1)O.CCC1=[C-]CC=C1.CCC1=[C-]CC=C1.[Zr+2]

Isomeric SMILES

CCC1=CC(=CC=C1)O.CCC1=CC(=CC=C1)O.CCC1=[C-]CC=C1.CCC1=[C-]CC=C1.[Zr+2]

InChI

InChI=1S/2C8H10O.2C7H9.Zr/c2*1-2-7-4-3-5-8(9)6-7;2*1-2-7-5-3-4-6-7;/h2*3-6,9H,2H2,1H3;2*3,5H,2,4H2,1H3;/q;;2*-1;+2