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

Systemtic Name: 3-[6-(chloromethyl)-1,3-benzodioxol-5-yl]propanoic acid Openeye Name: 3-[6-(chloromethyl)-1,3-benzodioxol-5-yl]propanoic acid CAS Name: 3-[6-(chloromethyl)-1,3-benzodioxol-5-yl]propanoic acid IUPAC Name: 3-[6-(chloromethyl)-1,3-benzodioxol-5-yl]propanoic acid Traditional Name: 3-[6-(chloromethyl)-1,3-benzodioxol-5-yl]propionic acid Formula: C11H11ClO4 MolecularWeight: 242.65564

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CCC(=O)O)CCl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CCC(=O)O)CCl

InChI

InChI=1S/C11H11ClO4/c12-5-8-4-10-9(15-6-16-10)3-7(8)1-2-11(13)14/h3-4H,1-2,5-6H2,(H,13,14)