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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-butanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-butanoic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-oxobutanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-oxobutanoic acid Traditional Name: 3-keto-2-piperonyl-butyric acid Formula: C12H12O5 MolecularWeight: 236.22068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O5/c1-7(13)9(12(14)15)4-8-2-3-10-11(5-8)17-6-16-10/h2-3,5,9H,4,6H2,1H3,(H,14,15)