2-diphenylphosphanyl-6-methylsulfanyl-phenol; zirconium; dichloride

Systemtic Name: 2-diphenylphosphanyl-6-methylsulfanyl-phenol; zirconium; dichloride Openeye Name: 2-diphenylphosphanyl-6-methylsulfanyl-phenol; zirconium; dichloride CAS Name: 2-diphenylphosphino-6-(methylthio)phenol; zirconium; dichloride IUPAC Name: 2-diphenylphosphanyl-6-methylsulfanylphenol; zirconium; dichloride Traditional Name: 2-diphenylphosphino-6-(methylthio)phenol; zirconium; dichloride Formula: C76H68Cl2O4P4S4Zr2-2 MolecularWeight: 1550.859764

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.CSC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.CSC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.CSC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Zr].[Zr]

Isomeric SMILES

CSC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.CSC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.CSC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.CSC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Zr].[Zr]

InChI

InChI=1S/4C19H17OPS.2ClH.2Zr/c4*1-22-18-14-8-13-17(19(18)20)21(15-9-4-2-5-10-15)16-11-6-3-7-12-16;;;;/h4*2-14,20H,1H3;2*1H;;/p-2