2-tert-butylsulfanyl-6-(dimethylamino)phenol; zirconium; dichloride

Systemtic Name: 2-tert-butylsulfanyl-6-(dimethylamino)phenol; zirconium; dichloride Openeye Name: 2-tert-butylsulfanyl-6-(dimethylamino)phenol; zirconium; dichloride CAS Name: 2-(tert-butylthio)-6-(dimethylamino)phenol; zirconium; dichloride IUPAC Name: 2-tert-butylsulfanyl-6-(dimethylamino)phenol; zirconium; dichloride Traditional Name: 2-(tert-butylthio)-6-(dimethylamino)phenol; zirconium; dichloride Formula: C48H76Cl2N4O4S4Zr2-2 MolecularWeight: 1154.75544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC(=C1O)N(C)C.CC(C)(C)SC1=CC=CC(=C1O)N(C)C.CC(C)(C)SC1=CC=CC(=C1O)N(C)C.CC(C)(C)SC1=CC=CC(=C1O)N(C)C.[Cl-].[Cl-].[Zr].[Zr]

Isomeric SMILES

CC(C)(C)SC1=CC=CC(=C1O)N(C)C.CC(C)(C)SC1=CC=CC(=C1O)N(C)C.CC(C)(C)SC1=CC=CC(=C1O)N(C)C.CC(C)(C)SC1=CC=CC(=C1O)N(C)C.[Cl-].[Cl-].[Zr].[Zr]

InChI

InChI=1S/4C12H19NOS.2ClH.2Zr/c4*1-12(2,3)15-10-8-6-7-9(11(10)14)13(4)5;;;;/h4*6-8,14H,1-5H3;2*1H;;/p-2