methyl (E,4R,5S)-4-bromanyl-5-oxidanyl-octadec-2-enoate

Systemtic Name: methyl (E,4R,5S)-4-bromanyl-5-oxidanyl-octadec-2-enoate Openeye Name: methyl (E,4R,5S)-4-bromo-5-hydroxy-octadec-2-enoate CAS Name: (E,4R,5S)-4-bromo-5-hydroxy-2-octadecenoic acid methyl ester IUPAC Name: methyl (E,4R,5S)-4-bromo-5-hydroxyoctadec-2-enoate Traditional Name: (E,4R,5S)-4-bromo-5-hydroxy-octadec-2-enoic acid methyl ester Formula: C19H35BrO3 MolecularWeight: 391.3834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(C=CC(=O)OC)Br)O

Isomeric SMILES

CCCCCCCCCCCCC[C@@H]([C@@H](/C=C/C(=O)OC)Br)O

InChI

InChI=1S/C19H35BrO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)17(20)15-16-19(22)23-2/h15-18,21H,3-14H2,1-2H3/b16-15+/t17-,18+/m1/s1