4-(1,3-benzodioxol-5-ylmethoxy)butanoate

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethoxy)butanoate Openeye Name: 4-(1,3-benzodioxol-5-ylmethoxy)butanoate CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)butanoate IUPAC Name: 4-(1,3-benzodioxol-5-ylmethoxy)butanoate Traditional Name: 4-piperonyloxybutyrate Formula: C12H13O5- MolecularWeight: 237.22862

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCCCC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COCCCC(=O)[O-]

InChI

InChI=1S/C12H14O5/c13-12(14)2-1-5-15-7-9-3-4-10-11(6-9)17-8-16-10/h3-4,6H,1-2,5,7-8H2,(H,13,14)/p-1