4-(dimethylamino)-1-tridecoxy-henicosan-2-ol

Systemtic Name: 4-(dimethylamino)-1-tridecoxy-henicosan-2-ol Openeye Name: 4-(dimethylamino)-1-tridecoxy-henicosan-2-ol CAS Name: 4-(dimethylamino)-1-tridecoxy-2-heneicosanol IUPAC Name: 4-(dimethylamino)-1-tridecoxyhenicosan-2-ol Traditional Name: 4-(dimethylamino)-1-tridecoxy-heneicosan-2-ol Formula: C36H75NO2 MolecularWeight: 553.9862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CC(COCCCCCCCCCCCCC)O)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CC(COCCCCCCCCCCCCC)O)N(C)C

InChI

InChI=1S/C36H75NO2/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-35(37(3)4)33-36(38)34-39-32-30-28-26-24-22-16-14-12-10-8-6-2/h35-36,38H,5-34H2,1-4H3