1,3-benzodioxol-5-ylmethyl 3-methylbutanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 3-methylbutanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid piperonyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-9(2)5-13(14)15-7-10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9H,5,7-8H2,1-2H3