methyl 9,10-bis(bromanyl)-12-oxidanyl-octadecanoate

Systemtic Name: methyl 9,10-bis(bromanyl)-12-oxidanyl-octadecanoate Openeye Name: methyl 9,10-dibromo-12-hydroxy-octadecanoate CAS Name: 9,10-dibromo-12-hydroxyoctadecanoic acid methyl ester IUPAC Name: methyl 9,10-dibromo-12-hydroxyoctadecanoate Traditional Name: 9,10-dibromo-12-hydroxy-stearic acid methyl ester Formula: C19H36Br2O3 MolecularWeight: 472.29534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(C(CCCCCCCC(=O)OC)Br)Br)O

Isomeric SMILES

CCCCCCC(CC(C(CCCCCCCC(=O)OC)Br)Br)O

InChI

InChI=1S/C19H36Br2O3/c1-3-4-5-9-12-16(22)15-18(21)17(20)13-10-7-6-8-11-14-19(23)24-2/h16-18,22H,3-15H2,1-2H3