2-methylpropyl (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: 2-methylpropyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: isobutyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid isobutyl ester Formula: C22H42O3 MolecularWeight: 354.56708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCC(C)C)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OCC(C)C)O

InChI

InChI=1S/C22H42O3/c1-4-5-6-13-16-21(23)17-14-11-9-7-8-10-12-15-18-22(24)25-19-20(2)3/h11,14,20-21,23H,4-10,12-13,15-19H2,1-3H3/b14-11+