2,4-bis(tert-butylsulfanyl)-6-(dimethylamino)phenol; zirconium; dichloride

Systemtic Name: 2,4-bis(tert-butylsulfanyl)-6-(dimethylamino)phenol; zirconium; dichloride Openeye Name: 2,4-bis(tert-butylsulfanyl)-6-(dimethylamino)phenol; zirconium; dichloride CAS Name: 2,4-bis(tert-butylthio)-6-(dimethylamino)phenol; zirconium; dichloride IUPAC Name: 2,4-bis(tert-butylsulfanyl)-6-(dimethylamino)phenol; zirconium; dichloride Traditional Name: 2,4-bis(tert-butylthio)-6-(dimethylamino)phenol; zirconium; dichloride Formula: C64H108Cl2N4O4S8Zr2-2 MolecularWeight: 1507.44072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC(=C(C(=C1)N(C)C)O)SC(C)(C)C.CC(C)(C)SC1=CC(=C(C(=C1)N(C)C)O)SC(C)(C)C.CC(C)(C)SC1=CC(=C(C(=C1)N(C)C)O)SC(C)(C)C.CC(C)(C)SC1=CC(=C(C(=C1)N(C)C)O)SC(C)(C)C.[Cl-].[Cl-].[Zr].[Zr]

Isomeric SMILES

CC(C)(C)SC1=CC(=C(C(=C1)N(C)C)O)SC(C)(C)C.CC(C)(C)SC1=CC(=C(C(=C1)N(C)C)O)SC(C)(C)C.CC(C)(C)SC1=CC(=C(C(=C1)N(C)C)O)SC(C)(C)C.CC(C)(C)SC1=CC(=C(C(=C1)N(C)C)O)SC(C)(C)C.[Cl-].[Cl-].[Zr].[Zr]

InChI

InChI=1S/4C16H27NOS2.2ClH.2Zr/c4*1-15(2,3)19-11-9-12(17(7)8)14(18)13(10-11)20-16(4,5)6;;;;/h4*9-10,18H,1-8H3;2*1H;;/p-2