2,4-ditert-butyl-3,5-diphenyl-6-phosphanyl-phenol; zirconium; dichloride

Systemtic Name: 2,4-ditert-butyl-3,5-diphenyl-6-phosphanyl-phenol; zirconium; dichloride Openeye Name: 2,4-ditert-butyl-3,5-diphenyl-6-phosphanyl-phenol; zirconium; dichloride CAS Name: 2,4-ditert-butyl-3,5-diphenyl-6-phosphinophenol; zirconium; dichloride IUPAC Name: 2,4-ditert-butyl-3,5-diphenyl-6-phosphanylphenol; zirconium; dichloride Traditional Name: 2,4-ditert-butyl-3,5-diphenyl-6-phosphino-phenol; zirconium; dichloride Formula: C52H62Cl2O2P2Zr-2 MolecularWeight: 943.125002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C(=C1C2=CC=CC=C2)P)O)C(C)(C)C)C3=CC=CC=C3.CC(C)(C)C1=C(C(=C(C(=C1C2=CC=CC=C2)P)O)C(C)(C)C)C3=CC=CC=C3.[Cl-].[Cl-].[Zr]

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C(=C1C2=CC=CC=C2)P)O)C(C)(C)C)C3=CC=CC=C3.CC(C)(C)C1=C(C(=C(C(=C1C2=CC=CC=C2)P)O)C(C)(C)C)C3=CC=CC=C3.[Cl-].[Cl-].[Zr]

InChI

InChI=1S/2C26H31OP.2ClH.Zr/c2*1-25(2,3)21-19(17-13-9-7-10-14-17)22(26(4,5)6)23(27)24(28)20(21)18-15-11-8-12-16-18;;;/h2*7-16,27H,28H2,1-6H3;2*1H;/p-2