methyl 10,12-bis(bromanyl)-9,13-bis(oxidanyl)octadecanoate

Systemtic Name: methyl 10,12-bis(bromanyl)-9,13-bis(oxidanyl)octadecanoate Openeye Name: methyl 10,12-dibromo-9,13-dihydroxy-octadecanoate CAS Name: 10,12-dibromo-9,13-dihydroxyoctadecanoic acid methyl ester IUPAC Name: methyl 10,12-dibromo-9,13-dihydroxyoctadecanoate Traditional Name: 10,12-dibromo-9,13-dihydroxy-stearic acid methyl ester Formula: C19H36Br2O4 MolecularWeight: 488.29474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H36Br2O4/c1-3-4-8-11-17(22)15(20)14-16(21)18(23)12-9-6-5-7-10-13-19(24)25-2/h15-18,22-23H,3-14H2,1-2H3