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

Systemtic Name: 2-(2-methyl-1,3-benzodioxol-2-yl)butanoate Openeye Name: 2-(2-methyl-1,3-benzodioxol-2-yl)butanoate CAS Name: 2-(2-methyl-1,3-benzodioxol-2-yl)butanoate IUPAC Name: 2-(2-methyl-1,3-benzodioxol-2-yl)butanoate Traditional Name: 2-(2-methyl-1,3-benzodioxol-2-yl)butyrate Formula: C12H13O4- MolecularWeight: 221.22922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c1-3-8(11(13)14)12(2)15-9-6-4-5-7-10(9)16-12/h4-8H,3H2,1-2H3,(H,13,14)/p-1