2-[[(2R)-2,3-di(hexanoyloxy)propoxy]-sulfanidyl-phosphinothioyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-2,3-di(hexanoyloxy)propoxy]-sulfanidyl-phosphinothioyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-2,3-di(hexanoyloxy)propoxy]-sulfido-phosphinothioyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2R)-2,3-bis(1-oxohexoxy)propoxy]-sulfidophosphinothioyl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-2,3-di(hexanoyloxy)propoxy]-sulfidophosphinothioyl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-2,3-dicaproyloxypropoxy]-sulfido-thiophosphoryl]oxyethyl-trimethyl-ammonium Formula: C20H40NO6PS2 MolecularWeight: 485.638461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(COP(=S)(OCC[N+](C)(C)C)[S-])OC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)OC[C@H](COP(=S)(OCC[N+](C)(C)C)[S-])OC(=O)CCCCC

InChI

InChI=1S/C20H40NO6PS2/c1-6-8-10-12-19(22)24-16-18(27-20(23)13-11-9-7-2)17-26-28(29,30)25-15-14-21(3,4)5/h18H,6-17H2,1-5H3/t18-/m1/s1