3,4-bis(oxidanyl)butyl-(2-hexadecoxy-3-hexadecylsulfanyl-propoxy)phosphinic acid

Systemtic Name: 3,4-bis(oxidanyl)butyl-(2-hexadecoxy-3-hexadecylsulfanyl-propoxy)phosphinic acid Openeye Name: 3,4-dihydroxybutyl-(2-hexadecoxy-3-hexadecylsulfanyl-propoxy)phosphinic acid CAS Name: 3,4-dihydroxybutyl-[2-hexadecoxy-3-(hexadecylthio)propoxy]phosphinic acid IUPAC Name: 3,4-dihydroxybutyl-(2-hexadecoxy-3-hexadecylsulfanylpropoxy)phosphinic acid Traditional Name: [2-cetyloxy-3-(cetylthio)propoxy]-(3,4-dihydroxybutyl)phosphinic acid Formula: C39H81O6PS MolecularWeight: 709.095601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(COP(=O)(CCC(CO)O)O)CSCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(COP(=O)(CCC(CO)O)O)CSCCCCCCCCCCCCCCCC

InChI

InChI=1S/C39H81O6PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-44-39(36-45-46(42,43)33-31-38(41)35-40)37-47-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-41H,3-37H2,1-2H3,(H,42,43)