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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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