2-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-3-oxo-propanoic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-3-oxopropanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-3-oxopropanoic acid Traditional Name: 3-ethoxy-3-keto-2-piperonyl-propionic acid Formula: C13H14O6 MolecularWeight: 266.24666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(C=C1)OCO2)C(=O)O

InChI

InChI=1S/C13H14O6/c1-2-17-13(16)9(12(14)15)5-8-3-4-10-11(6-8)19-7-18-10/h3-4,6,9H,2,5,7H2,1H3,(H,14,15)