2-[2-(bromomethyl)-1,3-benzodioxol-2-yl]butanoic acid

Systemtic Name: 2-[2-(bromomethyl)-1,3-benzodioxol-2-yl]butanoic acid Openeye Name: 2-[2-(bromomethyl)-1,3-benzodioxol-2-yl]butanoic acid CAS Name: 2-[2-(bromomethyl)-1,3-benzodioxol-2-yl]butanoic acid IUPAC Name: 2-[2-(bromomethyl)-1,3-benzodioxol-2-yl]butanoic acid Traditional Name: 2-[2-(bromomethyl)-1,3-benzodioxol-2-yl]butyric acid Formula: C12H13BrO4 MolecularWeight: 301.13322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)C1(OC2=CC=CC=C2O1)CBr

Isomeric SMILES

CCC(C(=O)O)C1(OC2=CC=CC=C2O1)CBr

InChI

InChI=1S/C12H13BrO4/c1-2-8(11(14)15)12(7-13)16-9-5-3-4-6-10(9)17-12/h3-6,8H,2,7H2,1H3,(H,14,15)