2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl]-2-oxidanyl-ethanoic acid

Systemtic Name: 2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl]-2-oxidanyl-ethanoic acid Openeye Name: 2-hydroxy-2-[(4-hydroxy-3,5-dimethyl-phenyl)methylsulfanyl]acetic acid CAS Name: 2-hydroxy-2-[(4-hydroxy-3,5-dimethylphenyl)methylthio]acetic acid IUPAC Name: 2-hydroxy-2-[(4-hydroxy-3,5-dimethylphenyl)methylsulfanyl]acetic acid Traditional Name: 2-hydroxy-2-[(4-hydroxy-3,5-dimethyl-benzyl)thio]acetic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CSC(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CSC(C(=O)O)O

InChI

InChI=1S/C11H14O4S/c1-6-3-8(4-7(2)9(6)12)5-16-11(15)10(13)14/h3-4,11-12,15H,5H2,1-2H3,(H,13,14)