[(2R)-3-(1,3-benzodioxol-5-yl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-3-(1,3-benzodioxol-5-yl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-3-(1,3-benzodioxol-5-yl)-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-3-(1,3-benzodioxol-5-yl)-2-hydroxypropyl] ester IUPAC Name: [(2R)-3-(1,3-benzodioxol-5-yl)-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-3-(1,3-benzodioxol-5-yl)-2-hydroxy-propyl] ester Formula: C17H18O6S MolecularWeight: 350.38622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](CC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C17H18O6S/c1-12-2-5-15(6-3-12)24(19,20)23-10-14(18)8-13-4-7-16-17(9-13)22-11-21-16/h2-7,9,14,18H,8,10-11H2,1H3/t14-/m1/s1