[1,1-bis(bromanyl)-2,3-bis(oxidanyl)propyl] (E)-octadec-9-enoate

Systemtic Name: [1,1-bis(bromanyl)-2,3-bis(oxidanyl)propyl] (E)-octadec-9-enoate Openeye Name: (1,1-dibromo-2,3-dihydroxy-propyl) (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (1,1-dibromo-2,3-dihydroxypropyl) ester IUPAC Name: (1,1-dibromo-2,3-dihydroxypropyl) (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid (1,1-dibromo-2,3-dihydroxy-propyl) ester Formula: C21H38Br2O4 MolecularWeight: 514.33202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C(CO)O)(Br)Br

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(C(CO)O)(Br)Br

InChI

InChI=1S/C21H38Br2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)27-21(22,23)19(25)18-24/h9-10,19,24-25H,2-8,11-18H2,1H3/b10-9+