2-(2,5-dimethylphenyl)sulfanyl-2-oxidanyl-ethanoate

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-2-oxidanyl-ethanoate Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-2-hydroxy-acetate CAS Name: 2-[(2,5-dimethylphenyl)thio]-2-hydroxyacetate IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-2-hydroxyacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]-2-hydroxy-acetate Formula: C10H11O3S- MolecularWeight: 211.25754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC(C(=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC(C(=O)[O-])O

InChI

InChI=1S/C10H12O3S/c1-6-3-4-7(2)8(5-6)14-10(13)9(11)12/h3-5,10,13H,1-2H3,(H,11,12)/p-1