(E)-2-(2-methylpropyl)-12-oxidanyl-octadec-9-enoate

Systemtic Name: (E)-2-(2-methylpropyl)-12-oxidanyl-octadec-9-enoate Openeye Name: (E)-12-hydroxy-2-isobutyl-octadec-9-enoate CAS Name: (E)-12-hydroxy-2-(2-methylpropyl)-9-octadecenoate IUPAC Name: (E)-12-hydroxy-2-(2-methylpropyl)octadec-9-enoate Traditional Name: (E)-12-hydroxy-2-isobutyl-octadec-9-enoate Formula: C22H41O3- MolecularWeight: 353.55914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCC(CC(C)C)C(=O)[O-])O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCC(CC(C)C)C(=O)[O-])O

InChI

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