2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(2-methoxy-5-methylphenyl)methylthio]propanoic acid IUPAC Name: 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(2-methoxy-5-methyl-benzyl)thio]propionic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC(C)C(=O)O

InChI

InChI=1S/C12H16O3S/c1-8-4-5-11(15-3)10(6-8)7-16-9(2)12(13)14/h4-6,9H,7H2,1-3H3,(H,13,14)