(E)-2-[2,3-bis(oxidanyl)propyl]-12-oxidanyl-octadec-9-enoic acid

Systemtic Name: (E)-2-[2,3-bis(oxidanyl)propyl]-12-oxidanyl-octadec-9-enoic acid Openeye Name: (E)-2-(2,3-dihydroxypropyl)-12-hydroxy-octadec-9-enoic acid CAS Name: (E)-2-(2,3-dihydroxypropyl)-12-hydroxy-9-octadecenoic acid IUPAC Name: (E)-2-(2,3-dihydroxypropyl)-12-hydroxyoctadec-9-enoic acid Traditional Name: (E)-2-glyceryl-12-hydroxy-octadec-9-enoic acid Formula: C21H40O5 MolecularWeight: 372.5393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCC(CC(CO)O)C(=O)O)O

InChI

InChI=1S/C21H40O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-18(21(25)26)16-20(24)17-22/h9,12,18-20,22-24H,2-8,10-11,13-17H2,1H3,(H,25,26)/b12-9+