[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl-diethyl-azaniumyl]methanedithioate

Systemtic Name: [(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl-diethyl-azaniumyl]methanedithioate Openeye Name: [(3-tert-butyl-4-hydroxy-5-methyl-phenyl)methyl-diethyl-ammonio]methanedithioate CAS Name: [(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl-diethylammonio]methanedithioate IUPAC Name: [(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl-diethylazaniumyl]methanedithioate Traditional Name: [(3-tert-butyl-4-hydroxy-5-methyl-benzyl)-diethyl-ammonio]methanedithioate Formula: C17H27NOS2 MolecularWeight: 325.53238

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C)C(=S)[S-]

Isomeric SMILES

CC[N+](CC)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C)C(=S)[S-]

InChI

InChI=1S/C17H27NOS2/c1-7-18(8-2,16(20)21)11-13-9-12(3)15(19)14(10-13)17(4,5)6/h9-10H,7-8,11H2,1-6H3,(H-,19,20,21)