5-(1,3-benzodioxol-5-ylmethoxy)pentanoic acid

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethoxy)pentanoic acid Openeye Name: 5-(1,3-benzodioxol-5-ylmethoxy)pentanoic acid CAS Name: 5-(1,3-benzodioxol-5-ylmethoxy)pentanoic acid IUPAC Name: 5-(1,3-benzodioxol-5-ylmethoxy)pentanoic acid Traditional Name: 5-piperonyloxyvaleric acid Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCCCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COCCCCC(=O)O

InChI

InChI=1S/C13H16O5/c14-13(15)3-1-2-6-16-8-10-4-5-11-12(7-10)18-9-17-11/h4-5,7H,1-3,6,8-9H2,(H,14,15)