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

Systemtic Name: 2-diphenylphosphanyl-6-propan-2-ylsulfanyl-phenol; zirconium(2+); dichloride Openeye Name: 2-diphenylphosphanyl-6-isopropylsulfanyl-phenol; zirconium(2+); dichloride CAS Name: 2-diphenylphosphino-6-(propan-2-ylthio)phenol; zirconium(2+); dichloride IUPAC Name: 2-diphenylphosphanyl-6-propan-2-ylsulfanylphenol; zirconium(2+); dichloride Traditional Name: 2-diphenylphosphino-6-(isopropylthio)phenol; zirconium(2+); dichloride Formula: C42H42Cl2O2P2S2Zr MolecularWeight: 866.989202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)SC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC(C)SC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)SC1=CC=CC(=C1O)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C21H21OPS.2ClH.Zr/c2*1-16(2)24-20-15-9-14-19(21(20)22)23(17-10-5-3-6-11-17)18-12-7-4-8-13-18;;;/h2*3-16,22H,1-2H3;2*1H;/q;;;;+2/p-2