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

Systemtic Name: 8-[(2S,3R)-3-octyloxiran-2-yl]octyl butanoate Openeye Name: 8-[(2S,3R)-3-octyloxiran-2-yl]octyl butanoate CAS Name: butanoic acid 8-[(2S,3R)-3-octyl-2-oxiranyl]octyl ester IUPAC Name: 8-[(2S,3R)-3-octyloxiran-2-yl]octyl butanoate Traditional Name: butyric 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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C22H42O3/c1-3-5-6-7-10-13-17-20-21(25-20)18-14-11-8-9-12-15-19-24-22(23)16-4-2/h20-21H,3-19H2,1-2H3/t20-,21+/m1/s1