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

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]propanoic acid IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-bromo-2,5-dimethoxy-benzyl)thio]propionic acid Formula: C12H15BrO4S MolecularWeight: 335.2141

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSCCC(=O)O)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSCCC(=O)O)OC)Br

InChI

InChI=1S/C12H15BrO4S/c1-16-10-6-9(13)11(17-2)5-8(10)7-18-4-3-12(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)