(2S)-2-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-butanoic acid

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-butanoic acid Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-butanoic acid CAS Name: (2S)-2-(1,3-benzodioxol-5-ylmethoxy)-3-methylbutanoic acid IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethoxy)-3-methylbutanoic acid Traditional Name: (2S)-3-methyl-2-piperonyloxy-butyric acid Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)OCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)[C@@H](C(=O)O)OCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H16O5/c1-8(2)12(13(14)15)16-6-9-3-4-10-11(5-9)18-7-17-10/h3-5,8,12H,6-7H2,1-2H3,(H,14,15)/t12-/m0/s1