[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-propyl] ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-propyl] ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-propyl] acetate CAS Name: acetic acid [2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxypropyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxypropyl] acetate Traditional Name: acetic acid [3-(1,3-benzodioxol-5-yl)-2-methylol-propyl] ester Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CC1=CC2=C(C=C1)OCO2)CO

Isomeric SMILES

CC(=O)OCC(CC1=CC2=C(C=C1)OCO2)CO

InChI

InChI=1S/C13H16O5/c1-9(15)16-7-11(6-14)4-10-2-3-12-13(5-10)18-8-17-12/h2-3,5,11,14H,4,6-8H2,1H3