2,4-bis(chloranyl)phenol; (5-phenylcyclopenta-1,4-dien-1-yl)benzene; zirconium

Systemtic Name: 2,4-bis(chloranyl)phenol; (5-phenylcyclopenta-1,4-dien-1-yl)benzene; zirconium Openeye Name: 2,4-dichlorophenol; (5-phenylcyclopenta-1,4-dien-1-yl)benzene; zirconium CAS Name: 2,4-dichlorophenol; (5-phenyl-1-cyclopenta-1,4-dienyl)benzene; zirconium IUPAC Name: 2,4-dichlorophenol; (5-phenylcyclopenta-1,4-dien-1-yl)benzene; zirconium Traditional Name: 2,4-dichlorophenol; (5-phenylcyclopenta-1,4-dien-1-yl)benzene; zirconium Formula: C29H21Cl4O2Zr- MolecularWeight: 634.51184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=[C-]1)C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=C(C=C1Cl)Cl)O.C1=CC(=C(C=C1Cl)Cl)O.[Zr]

Isomeric SMILES

C1C=C(C(=[C-]1)C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=C(C=C1Cl)Cl)O.C1=CC(=C(C=C1Cl)Cl)O.[Zr]

InChI

InChI=1S/C17H13.2C6H4Cl2O.Zr/c1-3-8-14(9-4-1)16-12-7-13-17(16)15-10-5-2-6-11-15;2*7-4-1-2-6(9)5(8)3-4;/h1-6,8-12H,7H2;2*1-3,9H;/q-1;;;