2-(1,3-benzodioxol-5-yl)-3-methyl-butanoate

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-methyl-butanoate Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-methyl-butanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-3-methylbutanoate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-methylbutanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-methyl-butyrate Formula: C12H13O4- MolecularWeight: 221.22922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCO2)C(=O)[O-]

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCO2)C(=O)[O-]

InChI

InChI=1S/C12H14O4/c1-7(2)11(12(13)14)8-3-4-9-10(5-8)16-6-15-9/h3-5,7,11H,6H2,1-2H3,(H,13,14)/p-1