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

Systemtic Name: 3-[6-(acetyloxymethyl)-1,3-benzodioxol-5-yl]propanoic acid Openeye Name: 3-[6-(acetoxymethyl)-1,3-benzodioxol-5-yl]propanoic acid CAS Name: 3-[6-(acetyloxymethyl)-1,3-benzodioxol-5-yl]propanoic acid IUPAC Name: 3-[6-(acetyloxymethyl)-1,3-benzodioxol-5-yl]propanoic acid Traditional Name: 3-[6-(acetoxymethyl)-1,3-benzodioxol-5-yl]propionic acid Formula: C13H14O6 MolecularWeight: 266.24666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC2=C(C=C1CCC(=O)O)OCO2

Isomeric SMILES

CC(=O)OCC1=CC2=C(C=C1CCC(=O)O)OCO2

InChI

InChI=1S/C13H14O6/c1-8(14)17-6-10-5-12-11(18-7-19-12)4-9(10)2-3-13(15)16/h4-5H,2-3,6-7H2,1H3,(H,15,16)