[(2R)-3-(3,4-dimethoxyphenyl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-3-(3,4-dimethoxyphenyl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropyl] ester IUPAC Name: [(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxy-propyl] ester Formula: C18H22O6S MolecularWeight: 366.42868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O6S/c1-13-4-7-16(8-5-13)25(20,21)24-12-15(19)10-14-6-9-17(22-2)18(11-14)23-3/h4-9,11,15,19H,10,12H2,1-3H3/t15-/m1/s1