2-tert-butylsulfanyl-6-diphenylphosphanyl-phenol; zirconium; dichloride

Systemtic Name: 2-tert-butylsulfanyl-6-diphenylphosphanyl-phenol; zirconium; dichloride Openeye Name: 2-tert-butylsulfanyl-6-diphenylphosphanyl-phenol; zirconium; dichloride CAS Name: 2-(tert-butylthio)-6-diphenylphosphinophenol; zirconium; dichloride IUPAC Name: 2-tert-butylsulfanyl-6-diphenylphosphanylphenol; zirconium; dichloride Traditional Name: 2-(tert-butylthio)-6-diphenylphosphino-phenol; zirconium; dichloride Formula: C88H92Cl2O4P4S4Zr2-2 MolecularWeight: 1719.178724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C)SC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C)SC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C)SC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Zr].[Zr]

Isomeric SMILES

CC(C)(C)SC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C)SC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C)SC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C)SC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Zr].[Zr]

InChI

InChI=1S/4C22H23OPS.2ClH.2Zr/c4*1-22(2,3)25-20-16-10-15-19(21(20)23)24(17-11-6-4-7-12-17)18-13-8-5-9-14-18;;;;/h4*4-16,23H,1-3H3;2*1H;;/p-2