sodium 2,3,3-trimethyl-4-(4-methylphenyl)-2-oxidanyl-butane-1-thiolate

Systemtic Name: sodium 2,3,3-trimethyl-4-(4-methylphenyl)-2-oxidanyl-butane-1-thiolate Openeye Name: sodium 2-hydroxy-2,3,3-trimethyl-4-(p-tolyl)butane-1-thiolate CAS Name: sodium 2-hydroxy-2,3,3-trimethyl-4-(4-methylphenyl)-1-butanethiolate IUPAC Name: sodium 2-hydroxy-2,3,3-trimethyl-4-(4-methylphenyl)butane-1-thiolate Traditional Name: sodium 2-hydroxy-2,3,3-trimethyl-4-(p-tolyl)butane-1-thiolate Formula: C14H21NaOS MolecularWeight: 260.37071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22OS.Na/c1-11-5-7-12(8-6-11)9-13(2,3)14(4,15)10-16;/h5-8,15-16H,9-10H2,1-4H3;/q;+1/p-1