[(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-butyl] ethanoate

Systemtic Name: [(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-butyl] ethanoate Openeye Name: [(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-butyl] acetate CAS Name: acetic acid [(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutyl] ester IUPAC Name: [(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutyl] acetate Traditional Name: acetic acid [(2R,3R)-4-(1,3-benzodioxol-5-yl)-3-methylol-2-piperonyl-butyl] ester Formula: C22H24O7 MolecularWeight: 400.42176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CC1=CC2=C(C=C1)OCO2)C(CC3=CC4=C(C=C3)OCO4)CO

Isomeric SMILES

CC(=O)OC[C@H](CC1=CC2=C(C=C1)OCO2)[C@@H](CC3=CC4=C(C=C3)OCO4)CO

InChI

InChI=1S/C22H24O7/c1-14(24)25-11-18(7-16-3-5-20-22(9-16)29-13-27-20)17(10-23)6-15-2-4-19-21(8-15)28-12-26-19/h2-5,8-9,17-18,23H,6-7,10-13H2,1H3/t17-,18-/m0/s1