[(2S,3R)-3-(5-methylhexyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-3-(5-methylhexyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-3-(5-methylhexyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-3-(5-methylhexyl)-2-oxiranyl]methyl ester IUPAC Name: [(2S,3R)-3-(5-methylhexyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-3-(5-methylhexyl)oxiran-2-yl]methyl ester Formula: C17H26O4S MolecularWeight: 326.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(O2)CCCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2[C@H](O2)CCCCC(C)C

InChI

InChI=1S/C17H26O4S/c1-13(2)6-4-5-7-16-17(21-16)12-20-22(18,19)15-10-8-14(3)9-11-15/h8-11,13,16-17H,4-7,12H2,1-3H3/t16-,17+/m1/s1