6-(2-oxidanylidenepentyl)-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 6-(2-oxidanylidenepentyl)-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-(2-oxopentyl)-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-(2-oxopentyl)-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-(2-oxopentyl)-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-(2-ketopentyl)-piperonylic acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC1=CC2=C(C=C1C(=O)O)OCO2

Isomeric SMILES

CCCC(=O)CC1=CC2=C(C=C1C(=O)O)OCO2

InChI

InChI=1S/C13H14O5/c1-2-3-9(14)4-8-5-11-12(18-7-17-11)6-10(8)13(15)16/h5-6H,2-4,7H2,1H3,(H,15,16)