copper(1+); 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-oxidanyl-phenyl)sulfanyl-phenol; dichloride

Systemtic Name: copper(1+); 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-oxidanyl-phenyl)sulfanyl-phenol; dichloride Openeye Name: dicuprous 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-phenyl)sulfanyl-phenol dichloride CAS Name: copper(1+); 2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-hydroxyphenyl)thio]phenol; dichloride IUPAC Name: copper(1+); 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol; dichloride Traditional Name: dicuprous 2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-hydroxy-phenyl)thio]phenol dichloride Formula: C56H84Cl2Cu2O4S2 MolecularWeight: 1083.39176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C)O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C)O)C(C)(C)C.[Cl-].[Cl-].[Cu+].[Cu+]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C)O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C)O)C(C)(C)C.[Cl-].[Cl-].[Cu+].[Cu+]

InChI

InChI=1S/2C28H42O2S.2ClH.2Cu/c2*1-25(2,3)17-13-19(27(7,8)9)23(29)21(15-17)31-22-16-18(26(4,5)6)14-20(24(22)30)28(10,11)12;;;;/h2*13-16,29-30H,1-12H3;2*1H;;/q;;;;2*+1/p-2