[(2S,3S)-5-(methoxymethoxy)-3-oxidanyl-2-[(E)-2-phenylethenyl]pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-5-(methoxymethoxy)-3-oxidanyl-2-[(E)-2-phenylethenyl]pentyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-3-hydroxy-5-(methoxymethoxy)-2-[(E)-styryl]pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-hydroxy-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentyl] ester IUPAC Name: [(2S,3S)-3-hydroxy-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,2S)-2-[(1S)-1-hydroxy-3-(methoxymethoxy)propyl]-4-phenyl-but-3-enyl] ester Formula: C22H28O6S MolecularWeight: 420.51912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O6S/c1-18-8-12-21(13-9-18)29(24,25)28-16-20(22(23)14-15-27-17-26-2)11-10-19-6-4-3-5-7-19/h3-13,20,22-23H,14-17H2,1-2H3/b11-10+/t20-,22-/m0/s1