4-(1,3-benzodioxol-5-yl)butan-2-yl ethanoate

Systemtic Name: 4-(1,3-benzodioxol-5-yl)butan-2-yl ethanoate Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-methyl-propyl] acetate CAS Name: acetic acid 4-(1,3-benzodioxol-5-yl)butan-2-yl ester IUPAC Name: 4-(1,3-benzodioxol-5-yl)butan-2-yl acetate Traditional Name: acetic acid [3-(1,3-benzodioxol-5-yl)-1-methyl-propyl] ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)OC(=O)C

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)OC(=O)C

InChI

InChI=1S/C13H16O4/c1-9(17-10(2)14)3-4-11-5-6-12-13(7-11)16-8-15-12/h5-7,9H,3-4,8H2,1-2H3