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

Systemtic Name: 2-tert-butyl-4-methyl-3,5-diphenyl-6-phosphanyl-phenol; zirconium; dichloride Openeye Name: 2-tert-butyl-4-methyl-3,5-diphenyl-6-phosphanyl-phenol; zirconium; dichloride CAS Name: 2-tert-butyl-4-methyl-3,5-diphenyl-6-phosphinophenol; zirconium; dichloride IUPAC Name: 2-tert-butyl-4-methyl-3,5-diphenyl-6-phosphanylphenol; zirconium; dichloride Traditional Name: 2-tert-butyl-4-methyl-3,5-diphenyl-6-phosphino-phenol; zirconium; dichloride Formula: C46H50Cl2O2P2Zr-2 MolecularWeight: 858.965522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C2=CC=CC=C2)P)O)C(C)(C)C)C3=CC=CC=C3.CC1=C(C(=C(C(=C1C2=CC=CC=C2)P)O)C(C)(C)C)C3=CC=CC=C3.[Cl-].[Cl-].[Zr]

Isomeric SMILES

CC1=C(C(=C(C(=C1C2=CC=CC=C2)P)O)C(C)(C)C)C3=CC=CC=C3.CC1=C(C(=C(C(=C1C2=CC=CC=C2)P)O)C(C)(C)C)C3=CC=CC=C3.[Cl-].[Cl-].[Zr]

InChI

InChI=1S/2C23H25OP.2ClH.Zr/c2*1-15-18(16-11-7-5-8-12-16)20(23(2,3)4)21(24)22(25)19(15)17-13-9-6-10-14-17;;;/h2*5-14,24H,25H2,1-4H3;2*1H;/p-2