2-[6-(ethoxymethyl)-1,3-benzodioxol-5-yl]propanoic acid

Systemtic Name: 2-[6-(ethoxymethyl)-1,3-benzodioxol-5-yl]propanoic acid Openeye Name: 2-[6-(ethoxymethyl)-1,3-benzodioxol-5-yl]propanoic acid CAS Name: 2-[6-(ethoxymethyl)-1,3-benzodioxol-5-yl]propanoic acid IUPAC Name: 2-[6-(ethoxymethyl)-1,3-benzodioxol-5-yl]propanoic acid Traditional Name: 2-[6-(ethoxymethyl)-1,3-benzodioxol-5-yl]propionic acid Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC2=C(C=C1C(C)C(=O)O)OCO2

Isomeric SMILES

CCOCC1=CC2=C(C=C1C(C)C(=O)O)OCO2

InChI

InChI=1S/C13H16O5/c1-3-16-6-9-4-11-12(18-7-17-11)5-10(9)8(2)13(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)