1-(9-bromanylphenanthren-3-yl)-2-(dioctylamino)ethanol chloride

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-2-(dioctylamino)ethanol chloride Openeye Name: 1-(9-bromo-3-phenanthryl)-2-(dioctylamino)ethanol chloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-(dioctylamino)ethanol chloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-(dioctylamino)ethanol chloride Traditional Name: 1-(9-bromo-3-phenanthryl)-2-(dioctylamino)ethanol chloride Formula: C32H46BrClNO- MolecularWeight: 576.07074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)CC(C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br)O.[Cl-]

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)CC(C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br)O.[Cl-]

InChI

InChI=1S/C32H46BrNO.ClH/c1-3-5-7-9-11-15-21-34(22-16-12-10-8-6-4-2)25-32(35)27-20-19-26-24-31(33)29-18-14-13-17-28(29)30(26)23-27;/h13-14,17-20,23-24,32,35H,3-12,15-16,21-22,25H2,1-2H3;1H/p-1