1-(9-bromanylphenanthren-3-yl)-2-[di(nonyl)amino]propan-1-ol chloride

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-2-[di(nonyl)amino]propan-1-ol chloride Openeye Name: 1-(9-bromo-3-phenanthryl)-2-[di(nonyl)amino]propan-1-ol chloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-[di(nonyl)amino]-1-propanol chloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-[di(nonyl)amino]propan-1-ol chloride Traditional Name: 1-(9-bromo-3-phenanthryl)-2-[di(nonyl)amino]propan-1-ol chloride Formula: C35H52BrClNO- MolecularWeight: 618.15048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H52BrNO.ClH/c1-4-6-8-10-12-14-18-24-37(25-19-15-13-11-9-7-5-2)28(3)35(38)30-23-22-29-27-34(36)32-21-17-16-20-31(32)33(29)26-30;/h16-17,20-23,26-28,35,38H,4-15,18-19,24-25H2,1-3H3;1H/p-1