(E)-2-butyl-12-oxidanyl-octadec-9-enoic acid

Systemtic Name: (E)-2-butyl-12-oxidanyl-octadec-9-enoic acid Openeye Name: (E)-2-butyl-12-hydroxy-octadec-9-enoic acid CAS Name: (E)-2-butyl-12-hydroxy-9-octadecenoic acid IUPAC Name: (E)-2-butyl-12-hydroxyoctadec-9-enoic acid Traditional Name: (E)-2-butyl-12-hydroxy-octadec-9-enoic acid Formula: C22H42O3 MolecularWeight: 354.56708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCC(CCCC)C(=O)O)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCC(CCCC)C(=O)O)O

InChI

InChI=1S/C22H42O3/c1-3-5-7-14-18-21(23)19-15-12-10-8-9-11-13-17-20(22(24)25)16-6-4-2/h12,15,20-21,23H,3-11,13-14,16-19H2,1-2H3,(H,24,25)/b15-12+