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

Systemtic Name: sodium 4-(4-methylphenyl)-2-oxidanyl-butane-1-thiolate Openeye Name: sodium 2-hydroxy-4-(p-tolyl)butane-1-thiolate CAS Name: sodium 2-hydroxy-4-(4-methylphenyl)-1-butanethiolate IUPAC Name: sodium 2-hydroxy-4-(4-methylphenyl)butane-1-thiolate Traditional Name: sodium 2-hydroxy-4-(p-tolyl)butane-1-thiolate Formula: C11H15NaOS MolecularWeight: 218.29097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16OS.Na/c1-9-2-4-10(5-3-9)6-7-11(12)8-13;/h2-5,11-13H,6-8H2,1H3;/q;+1/p-1