sodium 2-methyl-4-(4-methylphenyl)-2-oxidanyl-butane-1-thiolate

Systemtic Name: sodium 2-methyl-4-(4-methylphenyl)-2-oxidanyl-butane-1-thiolate Openeye Name: sodium 2-hydroxy-2-methyl-4-(p-tolyl)butane-1-thiolate CAS Name: sodium 2-hydroxy-2-methyl-4-(4-methylphenyl)-1-butanethiolate IUPAC Name: sodium 2-hydroxy-2-methyl-4-(4-methylphenyl)butane-1-thiolate Traditional Name: sodium 2-hydroxy-2-methyl-4-(p-tolyl)butane-1-thiolate Formula: C12H17NaOS MolecularWeight: 232.31755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(C)(C[S-])O.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)CCC(C)(C[S-])O.[Na+]

InChI

InChI=1S/C12H18OS.Na/c1-10-3-5-11(6-4-10)7-8-12(2,13)9-14;/h3-6,13-14H,7-9H2,1-2H3;/q;+1/p-1