3,5-diphenyl-2-phosphanyl-4,6-di(propan-2-yl)phenol; zirconium; dichloride

Systemtic Name: 3,5-diphenyl-2-phosphanyl-4,6-di(propan-2-yl)phenol; zirconium; dichloride Openeye Name: 2,4-diisopropyl-3,5-diphenyl-6-phosphanyl-phenol; zirconium; dichloride CAS Name: 3,5-diphenyl-2-phosphino-4,6-di(propan-2-yl)phenol; zirconium; dichloride IUPAC Name: 3,5-diphenyl-2-phosphanyl-4,6-di(propan-2-yl)phenol; zirconium; dichloride Traditional Name: 2,4-diisopropyl-3,5-diphenyl-6-phosphino-phenol; zirconium; dichloride Formula: C48H54Cl2O2P2Zr-2 MolecularWeight: 887.018682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C24H27OP.2ClH.Zr/c2*1-15(2)19-21(17-11-7-5-8-12-17)20(16(3)4)23(25)24(26)22(19)18-13-9-6-10-14-18;;;/h2*5-16,25H,26H2,1-4H3;2*1H;/p-2