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

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylthio]propanoic acid IUPAC Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(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=C1CSC(C)C(=O)O)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC(C)C(=O)O)OC)OC

InChI

InChI=1S/C13H18O4S/c1-8-5-11(16-3)12(17-4)6-10(8)7-18-9(2)13(14)15/h5-6,9H,7H2,1-4H3,(H,14,15)