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

Systemtic Name: [(2R,3S,4R)-2,4-dimethyl-1-(4-methylphenyl)sulfonyloxy-heptan-3-yl] propanoate Openeye Name: [(1S,2R)-2-methyl-1-[(1R)-1-methyl-2-(p-tolylsulfonyloxy)ethyl]pentyl] propanoate CAS Name: propanoic acid [(2R,3S,4R)-2,4-dimethyl-1-(4-methylphenyl)sulfonyloxyheptan-3-yl] ester IUPAC Name: [(2R,3S,4R)-2,4-dimethyl-1-(4-methylphenyl)sulfonyloxyheptan-3-yl] propanoate Traditional Name: propionic acid [(1S,2R)-2-methyl-1-[(1R)-1-methyl-2-tosyloxy-ethyl]pentyl] ester Formula: C19H30O5S MolecularWeight: 370.5035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O5S/c1-6-8-15(4)19(24-18(20)7-2)16(5)13-23-25(21,22)17-11-9-14(3)10-12-17/h9-12,15-16,19H,6-8,13H2,1-5H3/t15-,16-,19+/m1/s1