[(2R,3R)-3-propyloxiran-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R)-3-propyloxiran-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3R)-3-propyloxiran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-3-propyl-2-oxiranyl]methyl ester IUPAC Name: [(2R,3R)-3-propyloxiran-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R)-3-propyloxiran-2-yl]methyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(O1)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC[C@@H]1[C@H](O1)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C13H18O4S/c1-3-4-12-13(17-12)9-16-18(14,15)11-7-5-10(2)6-8-11/h5-8,12-13H,3-4,9H2,1-2H3/t12-,13-/m1/s1