methyl (E)-11-bromanyl-13-(3-chloranyl-2-oxidanylidene-propyl)-12-oxidanyl-octadec-9-enoate

Systemtic Name: methyl (E)-11-bromanyl-13-(3-chloranyl-2-oxidanylidene-propyl)-12-oxidanyl-octadec-9-enoate Openeye Name: methyl (E)-11-bromo-13-(3-chloro-2-oxo-propyl)-12-hydroxy-octadec-9-enoate CAS Name: (E)-11-bromo-13-(3-chloro-2-oxopropyl)-12-hydroxy-9-octadecenoic acid methyl ester IUPAC Name: methyl (E)-11-bromo-13-(3-chloro-2-oxopropyl)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-11-bromo-13-(3-chloro-2-keto-propyl)-12-hydroxy-octadec-9-enoic acid methyl ester Formula: C22H38BrClO4 MolecularWeight: 481.89172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)CCl)C(C(C=CCCCCCCCC(=O)OC)Br)O

Isomeric SMILES

CCCCCC(CC(=O)CCl)C(C(/C=C/CCCCCCCC(=O)OC)Br)O

InChI

InChI=1S/C22H38BrClO4/c1-3-4-10-13-18(16-19(25)17-24)22(27)20(23)14-11-8-6-5-7-9-12-15-21(26)28-2/h11,14,18,20,22,27H,3-10,12-13,15-17H2,1-2H3/b14-11+