[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)oxolan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)oxolan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-oxolanyl] ester IUPAC Name: [(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)oxolan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R,4R)-4-piperonyltetrahydrofuran-3-yl] ester Formula: C19H20O6S MolecularWeight: 376.4235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2COCC2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2COC[C@H]2CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20O6S/c1-13-2-5-16(6-3-13)26(20,21)25-19-11-22-10-15(19)8-14-4-7-17-18(9-14)24-12-23-17/h2-7,9,15,19H,8,10-12H2,1H3/t15-,19+/m1/s1