sodium 3,3-dimethyl-5-(4-methylphenyl)-2-oxidanyl-pentane-1-thiolate

Systemtic Name: sodium 3,3-dimethyl-5-(4-methylphenyl)-2-oxidanyl-pentane-1-thiolate Openeye Name: sodium 2-hydroxy-3,3-dimethyl-5-(p-tolyl)pentane-1-thiolate CAS Name: sodium 2-hydroxy-3,3-dimethyl-5-(4-methylphenyl)-1-pentanethiolate IUPAC Name: sodium 2-hydroxy-3,3-dimethyl-5-(4-methylphenyl)pentane-1-thiolate Traditional Name: sodium 2-hydroxy-3,3-dimethyl-5-(p-tolyl)pentane-1-thiolate Formula: C14H21NaOS MolecularWeight: 260.37071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22OS.Na/c1-11-4-6-12(7-5-11)8-9-14(2,3)13(15)10-16;/h4-7,13,15-16H,8-10H2,1-3H3;/q;+1/p-1