4-(4-tert-butylphenyl)-3-[2-[7-(4-tert-butylphenyl)-2-propyl-3H-inden-3-id-1-yl]propan-2-yl]-2-propyl-1H-inden-1-ide; 2,4-ditert-butylphenolate; zirconium(4+); chloride

Systemtic Name: 4-(4-tert-butylphenyl)-3-[2-[7-(4-tert-butylphenyl)-2-propyl-3H-inden-3-id-1-yl]propan-2-yl]-2-propyl-1H-inden-1-ide; 2,4-ditert-butylphenolate; zirconium(4+); chloride Openeye Name: 4-(4-tert-butylphenyl)-3-[1-[7-(4-tert-butylphenyl)-2-propyl-3H-inden-3-id-1-yl]-1-methyl-ethyl]-2-propyl-1H-inden-1-ide; 2,4-ditert-butylphenolate; zirconium(4+); chloride CAS Name: 4-(4-tert-butylphenyl)-3-[2-[7-(4-tert-butylphenyl)-2-propyl-3H-inden-3-id-1-yl]propan-2-yl]-2-propyl-1H-inden-1-ide; 2,4-ditert-butylphenolate; zirconium(4+); chloride IUPAC Name: 4-(4-tert-butylphenyl)-3-[2-[7-(4-tert-butylphenyl)-2-propyl-3H-inden-3-id-1-yl]propan-2-yl]-2-propyl-1H-inden-1-ide; 2,4-ditert-butylphenolate; zirconium(4+); chloride Traditional Name: 4-(4-tert-butylphenyl)-3-[1-[7-(4-tert-butylphenyl)-2-propyl-3H-inden-3-id-1-yl]-1-methyl-ethyl]-2-propyl-1H-inden-1-ide; 2,4-ditert-butylphenolate; zirconium(4+); chloride Formula: C61H75ClOZr MolecularWeight: 950.9246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C)C(C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)C(C)(C)C)CCC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C)C(C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)C(C)(C)C)CCC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C47H54.C14H22O.ClH.Zr/c1-11-15-35-29-33-17-13-19-39(31-21-25-37(26-22-31)45(3,4)5)41(33)43(35)47(9,10)44-36(16-12-2)30-34-18-14-20-40(42(34)44)32-23-27-38(28-24-32)46(6,7)8;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h13-14,17-30H,11-12,15-16H2,1-10H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2