[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-dimethyl-azaniumyl]methanedithioate

Systemtic Name: [(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-dimethyl-azaniumyl]methanedithioate Openeye Name: [(3,5-ditert-butyl-4-hydroxy-phenyl)methyl-dimethyl-ammonio]methanedithioate CAS Name: [(3,5-ditert-butyl-4-hydroxyphenyl)methyl-dimethylammonio]methanedithioate IUPAC Name: [(3,5-ditert-butyl-4-hydroxyphenyl)methyl-dimethylazaniumyl]methanedithioate Traditional Name: [(3,5-ditert-butyl-4-hydroxy-benzyl)-dimethyl-ammonio]methanedithioate Formula: C18H29NOS2 MolecularWeight: 339.55896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[N+](C)(C)C(=S)[S-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[N+](C)(C)C(=S)[S-]

InChI

InChI=1S/C18H29NOS2/c1-17(2,3)13-9-12(11-19(7,8)16(21)22)10-14(15(13)20)18(4,5)6/h9-10H,11H2,1-8H3,(H-,20,21,22)