8-[(2S,3R)-3-octyloxiran-2-yl]octyl 2-methylpropanoate

Systemtic Name: 8-[(2S,3R)-3-octyloxiran-2-yl]octyl 2-methylpropanoate Openeye Name: 8-[(2S,3R)-3-octyloxiran-2-yl]octyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 8-[(2S,3R)-3-octyl-2-oxiranyl]octyl ester IUPAC Name: 8-[(2S,3R)-3-octyloxiran-2-yl]octyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 8-[(2S,3R)-3-octyloxiran-2-yl]octyl ester Formula: C22H42O3 MolecularWeight: 354.56708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(O1)CCCCCCCCOC(=O)C(C)C

Isomeric SMILES

CCCCCCCC[C@@H]1[C@@H](O1)CCCCCCCCOC(=O)C(C)C

InChI

InChI=1S/C22H42O3/c1-4-5-6-7-10-13-16-20-21(25-20)17-14-11-8-9-12-15-18-24-22(23)19(2)3/h19-21H,4-18H2,1-3H3/t20-,21+/m1/s1