[(2R,3S)-2-ethyl-5-[(4-methoxyphenyl)methoxy]-3-oxidanyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S)-2-ethyl-5-[(4-methoxyphenyl)methoxy]-3-oxidanyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3S)-2-ethyl-3-hydroxy-5-[(4-methoxyphenyl)methoxy]pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-2-ethyl-3-hydroxy-5-[(4-methoxyphenyl)methoxy]pentyl] ester IUPAC Name: [(2R,3S)-2-ethyl-3-hydroxy-5-[(4-methoxyphenyl)methoxy]pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-2-ethyl-3-hydroxy-5-p-anisyloxy-pentyl] ester Formula: C22H30O6S MolecularWeight: 422.535

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COS(=O)(=O)C1=CC=C(C=C1)C)C(CCOCC2=CC=C(C=C2)OC)O

Isomeric SMILES

CC[C@H](COS(=O)(=O)C1=CC=C(C=C1)C)[C@H](CCOCC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C22H30O6S/c1-4-19(16-28-29(24,25)21-11-5-17(2)6-12-21)22(23)13-14-27-15-18-7-9-20(26-3)10-8-18/h5-12,19,22-23H,4,13-16H2,1-3H3/t19-,22+/m1/s1