[3-(1,3-benzodioxol-5-yl)-3-oxidanyl-butyl] ethanoate

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-3-oxidanyl-butyl] ethanoate Openeye Name: [3-(1,3-benzodioxol-5-yl)-3-hydroxy-butyl] acetate CAS Name: acetic acid [3-(1,3-benzodioxol-5-yl)-3-hydroxybutyl] ester IUPAC Name: [3-(1,3-benzodioxol-5-yl)-3-hydroxybutyl] acetate Traditional Name: acetic acid [3-(1,3-benzodioxol-5-yl)-3-hydroxy-butyl] ester Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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