2-diphenylphosphanyl-4,6-bis(propan-2-ylsulfanyl)phenol; zirconium(2+); dichloride

Systemtic Name: 2-diphenylphosphanyl-4,6-bis(propan-2-ylsulfanyl)phenol; zirconium(2+); dichloride Openeye Name: 2-diphenylphosphanyl-4,6-bis(isopropylsulfanyl)phenol; zirconium(2+); dichloride CAS Name: 2-diphenylphosphino-4,6-bis(propan-2-ylthio)phenol; zirconium(2+); dichloride IUPAC Name: 2-diphenylphosphanyl-4,6-bis(propan-2-ylsulfanyl)phenol; zirconium(2+); dichloride Traditional Name: 2-diphenylphosphino-4,6-bis(isopropylthio)phenol; zirconium(2+); dichloride Formula: C48H54Cl2O2P2S4Zr MolecularWeight: 1015.278682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)O)SC(C)C.CC(C)SC1=CC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)O)SC(C)C.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC(C)SC1=CC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)O)SC(C)C.CC(C)SC1=CC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)O)SC(C)C.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C24H27OPS2.2ClH.Zr/c2*1-17(2)27-21-15-22(24(25)23(16-21)28-18(3)4)26(19-11-7-5-8-12-19)20-13-9-6-10-14-20;;;/h2*5-18,25H,1-4H3;2*1H;/q;;;;+2/p-2