[(3S,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-yl] ethanoate

Systemtic Name: [(3S,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-yl] ethanoate Openeye Name: [(3S,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-yl] acetate CAS Name: acetic acid [(3S,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)-2-oxolanyl] ester IUPAC Name: [(3S,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-yl] acetate Traditional Name: acetic acid [(3S,4R)-3,4-dipiperonyltetrahydrofuran-2-yl] ester Formula: C22H22O7 MolecularWeight: 398.40588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(CO1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)OC1[C@H]([C@H](CO1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22O7/c1-13(23)29-22-17(7-15-3-5-19-21(9-15)28-12-26-19)16(10-24-22)6-14-2-4-18-20(8-14)27-11-25-18/h2-5,8-9,16-17,22H,6-7,10-12H2,1H3/t16-,17-,22?/m0/s1