3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]propanoic acid IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]propionic acid Formula: C11H11ClO4S MolecularWeight: 274.72064

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSCCC(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSCCC(=O)O)Cl

InChI

InChI=1S/C11H11ClO4S/c12-8-3-7(5-17-2-1-10(13)14)4-9-11(8)16-6-15-9/h3-4H,1-2,5-6H2,(H,13,14)