2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]propanoic acid IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]propionic acid Formula: C12H13BrO4S MolecularWeight: 333.19822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC2=C(C=C1Br)OCCO2

Isomeric SMILES

CC(C(=O)O)SCC1=CC2=C(C=C1Br)OCCO2

InChI

InChI=1S/C12H13BrO4S/c1-7(12(14)15)18-6-8-4-10-11(5-9(8)13)17-3-2-16-10/h4-5,7H,2-3,6H2,1H3,(H,14,15)