[(2R,3R)-2-(3,4-dimethoxyphenyl)heptan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R)-2-(3,4-dimethoxyphenyl)heptan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-2-(3,4-dimethoxyphenyl)heptan-3-yl] ester IUPAC Name: [(2R,3R)-2-(3,4-dimethoxyphenyl)heptan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]pentyl] ester Formula: C22H30O5S MolecularWeight: 406.5356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)C1=CC(=C(C=C1)OC)OC)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC[C@H]([C@H](C)C1=CC(=C(C=C1)OC)OC)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H30O5S/c1-6-7-8-20(27-28(23,24)19-12-9-16(2)10-13-19)17(3)18-11-14-21(25-4)22(15-18)26-5/h9-15,17,20H,6-8H2,1-5H3/t17-,20-/m1/s1