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

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

C1COC2=C(O1)C=C(C(=C2)Br)CSCCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSCCC(=O)O

InChI

InChI=1S/C12H13BrO4S/c13-9-6-11-10(16-2-3-17-11)5-8(9)7-18-4-1-12(14)15/h5-6H,1-4,7H2,(H,14,15)