methyl (E)-13-(2-bromanylethanoyloxy)-12-oxidanyl-octadec-9-enoate

Systemtic Name: methyl (E)-13-(2-bromanylethanoyloxy)-12-oxidanyl-octadec-9-enoate Openeye Name: methyl (E)-13-(2-bromoacetyl)oxy-12-hydroxy-octadec-9-enoate CAS Name: (E)-13-(2-bromo-1-oxoethoxy)-12-hydroxy-9-octadecenoic acid methyl ester IUPAC Name: methyl (E)-13-(2-bromoacetyl)oxy-12-hydroxyoctadec-9-enoate Traditional Name: (E)-13-(2-bromoacetyl)oxy-12-hydroxy-octadec-9-enoic acid methyl ester Formula: C21H37BrO5 MolecularWeight: 449.41948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC=CCCCCCCCC(=O)OC)O)OC(=O)CBr

Isomeric SMILES

CCCCCC(C(C/C=C/CCCCCCCC(=O)OC)O)OC(=O)CBr

InChI

InChI=1S/C21H37BrO5/c1-3-4-11-15-19(27-21(25)17-22)18(23)14-12-9-7-5-6-8-10-13-16-20(24)26-2/h9,12,18-19,23H,3-8,10-11,13-17H2,1-2H3/b12-9+