2-methylpropyl 8-[(2R,3S)-3-octyloxiran-2-yl]octanoate

Systemtic Name: 2-methylpropyl 8-[(2R,3S)-3-octyloxiran-2-yl]octanoate Openeye Name: isobutyl 8-[(2R,3S)-3-octyloxiran-2-yl]octanoate CAS Name: 8-[(2R,3S)-3-octyl-2-oxiranyl]octanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 8-[(2R,3S)-3-octyloxiran-2-yl]octanoate Traditional Name: 8-[(2R,3S)-3-octyloxiran-2-yl]caprylic acid isobutyl ester Formula: C22H42O3 MolecularWeight: 354.56708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H42O3/c1-4-5-6-7-9-12-15-20-21(25-20)16-13-10-8-11-14-17-22(23)24-18-19(2)3/h19-21H,4-18H2,1-3H3/t20-,21+/m0/s1