2-(4-tert-butylphenyl)ethanethioic S-acid

Systemtic Name: 2-(4-tert-butylphenyl)ethanethioic S-acid Openeye Name: 2-(4-tert-butylphenyl)ethanethioic S-acid CAS Name: 2-(4-tert-butylphenyl)ethanethioic S-acid IUPAC Name: 2-(4-tert-butylphenyl)ethanethioic S-acid Traditional Name: 2-(4-tert-butylphenyl)thioacetic acid Formula: C12H16OS MolecularWeight: 208.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(=O)S

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC(=O)S

InChI

InChI=1S/C12H16OS/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)