3-bromanylphenol; 1,2-dimethylcyclopenta-1,3-diene; zirconium

Systemtic Name: 3-bromanylphenol; 1,2-dimethylcyclopenta-1,3-diene; zirconium Openeye Name: 3-bromophenol; 1,2-dimethylcyclopenta-1,3-diene; zirconium CAS Name: 3-bromophenol; 1,2-dimethylcyclopenta-1,3-diene; zirconium IUPAC Name: 3-bromophenol; 1,2-dimethylcyclopenta-1,3-diene; zirconium Traditional Name: 3-bromophenol; 1,2-dimethylcyclopenta-1,3-diene; zirconium Formula: C26H30Br2O2Zr MolecularWeight: 625.5472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC1)C.CC1=C(C=CC1)C.C1=CC(=CC(=C1)Br)O.C1=CC(=CC(=C1)Br)O.[Zr]

Isomeric SMILES

CC1=C(C=CC1)C.CC1=C(C=CC1)C.C1=CC(=CC(=C1)Br)O.C1=CC(=CC(=C1)Br)O.[Zr]

InChI

InChI=1S/2C7H10.2C6H5BrO.Zr/c2*1-6-4-3-5-7(6)2;2*7-5-2-1-3-6(8)4-5;/h2*3-4H,5H2,1-2H3;2*1-4,8H;