sodium 4-(2-methylbutan-2-yl)benzenethiolate

Systemtic Name: sodium 4-(2-methylbutan-2-yl)benzenethiolate Openeye Name: sodium 4-(1,1-dimethylpropyl)benzenethiolate CAS Name: sodium 4-(2-methylbutan-2-yl)benzenethiolate IUPAC Name: sodium 4-(2-methylbutan-2-yl)benzenethiolate Traditional Name: sodium 4-tert-amylbenzenethiolate Formula: C11H15NaS MolecularWeight: 202.29157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16S.Na/c1-4-11(2,3)9-5-7-10(12)8-6-9;/h5-8,12H,4H2,1-3H3;/q;+1/p-1