2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]propanoic acid IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]propionic acid Formula: C12H13ClO4S MolecularWeight: 288.74722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC2=C(C(=C1)Cl)OCCO2

Isomeric SMILES

CC(C(=O)O)SCC1=CC2=C(C(=C1)Cl)OCCO2

InChI

InChI=1S/C12H13ClO4S/c1-7(12(14)15)18-6-8-4-9(13)11-10(5-8)16-2-3-17-11/h4-5,7H,2-3,6H2,1H3,(H,14,15)