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

Systemtic Name: 2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]acetic acid CAS Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methylthio]acetic acid IUPAC Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-bromo-2,5-dimethoxy-benzyl)thio]acetic acid Formula: C11H13BrO4S MolecularWeight: 321.18752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSCC(=O)O)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSCC(=O)O)OC)Br

InChI

InChI=1S/C11H13BrO4S/c1-15-9-4-8(12)10(16-2)3-7(9)5-17-6-11(13)14/h3-4H,5-6H2,1-2H3,(H,13,14)