2-(2-ethyl-1,3-benzodioxol-2-yl)butanoate

Systemtic Name: 2-(2-ethyl-1,3-benzodioxol-2-yl)butanoate Openeye Name: 2-(2-ethyl-1,3-benzodioxol-2-yl)butanoate CAS Name: 2-(2-ethyl-1,3-benzodioxol-2-yl)butanoate IUPAC Name: 2-(2-ethyl-1,3-benzodioxol-2-yl)butanoate Traditional Name: 2-(2-ethyl-1,3-benzodioxol-2-yl)butyrate Formula: C13H15O4- MolecularWeight: 235.2558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])C1(OC2=CC=CC=C2O1)CC

Isomeric SMILES

CCC(C(=O)[O-])C1(OC2=CC=CC=C2O1)CC

InChI

InChI=1S/C13H16O4/c1-3-9(12(14)15)13(4-2)16-10-7-5-6-8-11(10)17-13/h5-9H,3-4H2,1-2H3,(H,14,15)/p-1