3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(4,5-dimethoxy-2-methylphenyl)methylthio]propanoic acid IUPAC Name: 3-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4,5-dimethoxy-2-methyl-benzyl)thio]propionic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCCC(=O)O)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCCC(=O)O)OC)OC

InChI

InChI=1S/C13H18O4S/c1-9-6-11(16-2)12(17-3)7-10(9)8-18-5-4-13(14)15/h6-7H,4-5,8H2,1-3H3,(H,14,15)