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

Systemtic Name: 2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-hydroxy-3,5-dimethyl-phenyl)methylsulfanyl]acetic acid CAS Name: 2-[(4-hydroxy-3,5-dimethylphenyl)methylthio]acetic acid IUPAC Name: 2-[(4-hydroxy-3,5-dimethylphenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-hydroxy-3,5-dimethyl-benzyl)thio]acetic acid Formula: C11H14O3S MolecularWeight: 226.29206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O3S/c1-7-3-9(4-8(2)11(7)14)5-15-6-10(12)13/h3-4,14H,5-6H2,1-2H3,(H,12,13)