sodium 2-methyl-5-(4-methylphenyl)-2-oxidanyl-pentane-1-thiolate

Systemtic Name: sodium 2-methyl-5-(4-methylphenyl)-2-oxidanyl-pentane-1-thiolate Openeye Name: sodium 2-hydroxy-2-methyl-5-(p-tolyl)pentane-1-thiolate CAS Name: sodium 2-hydroxy-2-methyl-5-(4-methylphenyl)-1-pentanethiolate IUPAC Name: sodium 2-hydroxy-2-methyl-5-(4-methylphenyl)pentane-1-thiolate Traditional Name: sodium 2-hydroxy-2-methyl-5-(p-tolyl)pentane-1-thiolate Formula: C13H19NaOS MolecularWeight: 246.34413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20OS.Na/c1-11-5-7-12(8-6-11)4-3-9-13(2,14)10-15;/h5-8,14-15H,3-4,9-10H2,1-2H3;/q;+1/p-1