2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]propanoic acid IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]propionic acid Formula: C12H13ClO4S MolecularWeight: 288.74722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C2C(=CC(=C1)Cl)COCO2

Isomeric SMILES

CC(C(=O)O)SCC1=C2C(=CC(=C1)Cl)COCO2

InChI

InChI=1S/C12H13ClO4S/c1-7(12(14)15)18-5-9-3-10(13)2-8-4-16-6-17-11(8)9/h2-3,7H,4-6H2,1H3,(H,14,15)