2,4-ditert-butylphenolate; (diphenylmethylidene)zirconium(2+); 9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; chloride

Systemtic Name: 2,4-ditert-butylphenolate; (diphenylmethylidene)zirconium(2+); 9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; chloride Openeye Name: benzhydrylidenezirconium(2+); 2,4-ditert-butylphenolate; 9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; chloride CAS Name: 2,4-ditert-butylphenolate; (diphenylmethylene)zirconium(2+); 9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; chloride IUPAC Name: benzhydrylidenezirconium(2+); 2,4-ditert-butylphenolate; 9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; chloride Traditional Name: benzhydrylidenezirconium(2+); 2,4-ditert-butylphenolate; 9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; chloride Formula: C46H47ClOZr-2 MolecularWeight: 742.54178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[C-]=C1.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1=CC[C-]=C1.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C14H22O.C13H9.C13H10.C6H7.ClH.Zr/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-6-4-2-3-5-6;;/h7-9,15H,1-6H3;1-9H;1-10H;4-5H,2H2,1H3;1H;/q;-1;;-1;;+2/p-2