[(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxy-heptan-3-yl] propanoate

Systemtic Name: [(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxy-heptan-3-yl] propanoate Openeye Name: [(1S)-1-[(1R)-1-methyl-2-(p-tolylsulfonyloxy)ethyl]pentyl] propanoate CAS Name: propanoic acid [(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxyheptan-3-yl] ester IUPAC Name: [(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxyheptan-3-yl] propanoate Traditional Name: propionic acid [(1S)-1-[(1R)-1-methyl-2-tosyloxy-ethyl]pentyl] ester Formula: C18H28O5S MolecularWeight: 356.47692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)COS(=O)(=O)C1=CC=C(C=C1)C)OC(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C18H28O5S/c1-5-7-8-17(23-18(19)6-2)15(4)13-22-24(20,21)16-11-9-14(3)10-12-16/h9-12,15,17H,5-8,13H2,1-4H3/t15-,17+/m1/s1