sodium 3,3-dimethyl-4-(4-methylphenyl)-2-oxidanyl-butane-1-thiolate

Systemtic Name: sodium 3,3-dimethyl-4-(4-methylphenyl)-2-oxidanyl-butane-1-thiolate Openeye Name: sodium 2-hydroxy-3,3-dimethyl-4-(p-tolyl)butane-1-thiolate CAS Name: sodium 2-hydroxy-3,3-dimethyl-4-(4-methylphenyl)-1-butanethiolate IUPAC Name: sodium 2-hydroxy-3,3-dimethyl-4-(4-methylphenyl)butane-1-thiolate Traditional Name: sodium 2-hydroxy-3,3-dimethyl-4-(p-tolyl)butane-1-thiolate Formula: C13H19NaOS MolecularWeight: 246.34413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20OS.Na/c1-10-4-6-11(7-5-10)8-13(2,3)12(14)9-15;/h4-7,12,14-15H,8-9H2,1-3H3;/q;+1/p-1