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

Systemtic Name: 2-tert-butylsulfanyl-6-(dimethylamino)-4-methyl-phenol; zirconium; dichloride Openeye Name: 2-tert-butylsulfanyl-6-(dimethylamino)-4-methyl-phenol; zirconium; dichloride CAS Name: 2-(tert-butylthio)-6-(dimethylamino)-4-methylphenol; zirconium; dichloride IUPAC Name: 2-tert-butylsulfanyl-6-(dimethylamino)-4-methylphenol; zirconium; dichloride Traditional Name: 2-(tert-butylthio)-6-(dimethylamino)-4-methyl-phenol; zirconium; dichloride Formula: C52H84Cl2N4O4S4Zr2-2 MolecularWeight: 1210.86176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)SC(C)(C)C)O)N(C)C.CC1=CC(=C(C(=C1)SC(C)(C)C)O)N(C)C.CC1=CC(=C(C(=C1)SC(C)(C)C)O)N(C)C.CC1=CC(=C(C(=C1)SC(C)(C)C)O)N(C)C.[Cl-].[Cl-].[Zr].[Zr]

Isomeric SMILES

CC1=CC(=C(C(=C1)SC(C)(C)C)O)N(C)C.CC1=CC(=C(C(=C1)SC(C)(C)C)O)N(C)C.CC1=CC(=C(C(=C1)SC(C)(C)C)O)N(C)C.CC1=CC(=C(C(=C1)SC(C)(C)C)O)N(C)C.[Cl-].[Cl-].[Zr].[Zr]

InChI

InChI=1S/4C13H21NOS.2ClH.2Zr/c4*1-9-7-10(14(5)6)12(15)11(8-9)16-13(2,3)4;;;;/h4*7-8,15H,1-6H3;2*1H;;/p-2