(E)-2-(2-bromanyloctadecylamino)octadec-4-ene-1,3-diol

Systemtic Name: (E)-2-(2-bromanyloctadecylamino)octadec-4-ene-1,3-diol Openeye Name: (E)-2-(2-bromooctadecylamino)octadec-4-ene-1,3-diol CAS Name: (E)-2-(2-bromooctadecylamino)-4-octadecene-1,3-diol IUPAC Name: (E)-2-(2-bromooctadecylamino)octadec-4-ene-1,3-diol Traditional Name: (E)-2-(2-bromooctadecylamino)octadec-4-ene-1,3-diol Formula: C36H72BrNO2 MolecularWeight: 630.86638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CNC(CO)C(C=CCCCCCCCCCCCCC)O)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CNC(CO)C(/C=C/CCCCCCCCCCCCC)O)Br

InChI

InChI=1S/C36H72BrNO2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-34(37)32-38-35(33-39)36(40)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h29,31,34-36,38-40H,3-28,30,32-33H2,1-2H3/b31-29+