1,3-benzodioxol-5-yl 3-methylbutanoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-methylbutanoate Openeye Name: 1,3-benzodioxol-5-yl 3-methylbutanoate CAS Name: 3-methylbutanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-methylbutanoate Traditional Name: 3-methylbutyric acid 1,3-benzodioxol-5-yl ester Formula: C12H14O4 MolecularWeight: 222.23716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CC(=O)OC1=CC2=C(C=C1)OCO2

InChI

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