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

Systemtic Name: sodium 5-(4-methylphenyl)-2-oxidanyl-pentane-1-thiolate Openeye Name: sodium 2-hydroxy-5-(p-tolyl)pentane-1-thiolate CAS Name: sodium 2-hydroxy-5-(4-methylphenyl)-1-pentanethiolate IUPAC Name: sodium 2-hydroxy-5-(4-methylphenyl)pentane-1-thiolate Traditional Name: sodium 2-hydroxy-5-(p-tolyl)pentane-1-thiolate Formula: C12H17NaOS MolecularWeight: 232.31755

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18OS.Na/c1-10-5-7-11(8-6-10)3-2-4-12(13)9-14;/h5-8,12-14H,2-4,9H2,1H3;/q;+1/p-1