2-diphenylphosphanylsulfanylphenol; zirconium; dichloride

Systemtic Name: 2-diphenylphosphanylsulfanylphenol; zirconium; dichloride Openeye Name: 2-diphenylphosphanylsulfanylphenol; zirconium; dichloride CAS Name: 2-(diphenylphosphinothio)phenol; zirconium; dichloride IUPAC Name: 2-diphenylphosphanylsulfanylphenol; zirconium; dichloride Traditional Name: 2-(diphenylphosphinothio)phenol; zirconium; dichloride Formula: C72H60Cl2O4P4S4Zr2-2 MolecularWeight: 1494.753444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)SC3=CC=CC=C3O.C1=CC=C(C=C1)P(C2=CC=CC=C2)SC3=CC=CC=C3O.C1=CC=C(C=C1)P(C2=CC=CC=C2)SC3=CC=CC=C3O.C1=CC=C(C=C1)P(C2=CC=CC=C2)SC3=CC=CC=C3O.[Cl-].[Cl-].[Zr].[Zr]

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)SC3=CC=CC=C3O.C1=CC=C(C=C1)P(C2=CC=CC=C2)SC3=CC=CC=C3O.C1=CC=C(C=C1)P(C2=CC=CC=C2)SC3=CC=CC=C3O.C1=CC=C(C=C1)P(C2=CC=CC=C2)SC3=CC=CC=C3O.[Cl-].[Cl-].[Zr].[Zr]

InChI

InChI=1S/4C18H15OPS.2ClH.2Zr/c4*19-17-13-7-8-14-18(17)21-20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;;;;/h4*1-14,19H;2*1H;;/p-2