4-[3-(dimethylamino)propylsulfanyl]-1-hexadecoxy-butan-2-ol

Systemtic Name: 4-[3-(dimethylamino)propylsulfanyl]-1-hexadecoxy-butan-2-ol Openeye Name: 4-[3-(dimethylamino)propylsulfanyl]-1-hexadecoxy-butan-2-ol CAS Name: 4-[3-(dimethylamino)propylthio]-1-hexadecoxy-2-butanol IUPAC Name: 4-[3-(dimethylamino)propylsulfanyl]-1-hexadecoxybutan-2-ol Traditional Name: 1-cetyloxy-4-[3-(dimethylamino)propylthio]butan-2-ol Formula: C25H53NO2S MolecularWeight: 431.75882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CCSCCCN(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CCSCCCN(C)C)O

InChI

InChI=1S/C25H53NO2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-24-25(27)19-23-29-22-18-20-26(2)3/h25,27H,4-24H2,1-3H3