[(1S)-1-[(2S)-oxiran-2-yl]dodecyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S)-1-[(2S)-oxiran-2-yl]dodecyl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-[(2S)-oxiran-2-yl]dodecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S)-1-[(2S)-2-oxiranyl]dodecyl] ester IUPAC Name: [(1S)-1-[(2S)-oxiran-2-yl]dodecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-[(2S)-oxiran-2-yl]dodecyl] ester Formula: C21H34O4S MolecularWeight: 382.55726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1CO1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCC[C@@H]([C@@H]1CO1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H34O4S/c1-3-4-5-6-7-8-9-10-11-12-20(21-17-24-21)25-26(22,23)19-15-13-18(2)14-16-19/h13-16,20-21H,3-12,17H2,1-2H3/t20-,21-/m0/s1