3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]propanoic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]propionic acid Formula: C11H11ClO4S MolecularWeight: 274.72064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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