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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)CSCCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)CSCCC(=O)O

InChI

InChI=1S/C12H13ClO4S/c13-9-5-8(7-18-4-1-11(14)15)6-10-12(9)17-3-2-16-10/h5-6H,1-4,7H2,(H,14,15)