3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-methoxy-5-methylphenyl)methylthio]propanoic acid IUPAC Name: 3-[(2-methoxy-5-methylphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(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)CSCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3S/c1-9-3-4-11(15-2)10(7-9)8-16-6-5-12(13)14/h3-4,7H,5-6,8H2,1-2H3,(H,13,14)