sodium 2-(4-methylphenyl)-2-oxidanyl-ethanethiolate

Systemtic Name: sodium 2-(4-methylphenyl)-2-oxidanyl-ethanethiolate Openeye Name: sodium 2-hydroxy-2-(p-tolyl)ethanethiolate CAS Name: sodium 2-hydroxy-2-(4-methylphenyl)ethanethiolate IUPAC Name: sodium 2-hydroxy-2-(4-methylphenyl)ethanethiolate Traditional Name: sodium 2-hydroxy-2-(p-tolyl)ethanethiolate Formula: C9H11NaOS MolecularWeight: 190.23781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12OS.Na/c1-7-2-4-8(5-3-7)9(10)6-11;/h2-5,9-11H,6H2,1H3;/q;+1/p-1