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

Systemtic Name: methyl (E)-13-(2-iodanylethanoyloxy)-12-oxidanyl-octadec-9-enoate Openeye Name: methyl (E)-12-hydroxy-13-(2-iodoacetyl)oxy-octadec-9-enoate CAS Name: (E)-12-hydroxy-13-(2-iodo-1-oxoethoxy)-9-octadecenoic acid methyl ester IUPAC Name: methyl (E)-12-hydroxy-13-(2-iodoacetyl)oxyoctadec-9-enoate Traditional Name: (E)-12-hydroxy-13-(2-iodoacetyl)oxy-octadec-9-enoic acid methyl ester Formula: C21H37IO5 MolecularWeight: 496.41995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37IO5/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+