[(2S,3S)-3-methyl-3-(4-methylpentyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O4S/c1-13(2)6-5-11-17(4)16(21-17)12-20-22(18,19)15-9-7-14(3)8-10-15/h7-10,13,16H,5-6,11-12H2,1-4H3/t16-,17-/m0/s1