3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-sulfanyl-propanoic acid

Systemtic Name: 3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-sulfanyl-propanoic acid Openeye Name: 3-(4-hydroxy-3,5-dimethyl-phenyl)-2-sulfanyl-propanoic acid CAS Name: 3-(4-hydroxy-3,5-dimethylphenyl)-2-mercaptopropanoic acid IUPAC Name: 3-(4-hydroxy-3,5-dimethylphenyl)-2-sulfanylpropanoic acid Traditional Name: 3-(4-hydroxy-3,5-dimethyl-phenyl)-2-mercapto-propionic acid Formula: C11H14O3S MolecularWeight: 226.29206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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